Home Carbonyls 2-(2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinolin-5-yl)acetic acid

2-(2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinolin-5-yl)acetic acid

CAS No.:
2137687-37-5
Catalog Number:
AG01EKUX
Molecular Formula:
C26H23NO4
Molecular Weight:
413.4651
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Product Description
Catalog Number:
AG01EKUX
Chemical Name:
2-(2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinolin-5-yl)acetic acid
CAS Number:
2137687-37-5
Molecular Formula:
C26H23NO4
Molecular Weight:
413.4651
MDL Number:
MFCD31558848
IUPAC Name:
2-[2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinolin-5-yl]acetic acid
InChI:
InChI=1S/C26H23NO4/c28-25(29)14-17-6-5-7-18-15-27(13-12-19(17)18)26(30)31-16-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-11,24H,12-16H2,(H,28,29)
InChI Key:
GKQBUQKQSGFQKY-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc2c1CCN(C2)C(=O)OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
644  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.163g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
413.473g/mol
Monoisotopic Mass:
413.163g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Properties