RefChem:1061935

2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

CAS: 82768-84-1

Molecular Formula	`C25H30N2O5`
Molecular Weight	438.5 g/mol
LogP	1.2
Topological Polar Surface Area	95.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	438.21548
Heavy Atoms	32
Complexity	648.0

Chemical Identifiers

CAS Number	82768-84-1
SMILES	`CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O`
InChIKey	`JSDRRTOADPPCHY-UHFFFAOYSA-N`

📖 Product Overview

RefChem:1061935 (CAS: 82768-84-1) is a chemical compound with molecular formula C25H30N2O5 and molecular weight 438.5 g/mol. Its IUPAC systematic name is 2-[2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid. LogP 1.2 Topological Polar Surface Area 95.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 10 Exact Mass 438.21548 Heavy Atoms 32 Complexity 648.0 InChI Key: JSDRRTOADPPCHY-UHFFFAOYSA-N. SMILES: CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O.

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