2-[2-[(4-oxidanylidene-1-phenyl-pentan-3-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[(4-oxidanylidene-1-phenyl-pentan-3-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[(2-oxo-1-phenethyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[1-oxo-2-[(4-oxo-1-phenylpentan-3-yl)amino]propyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[(4-oxo-1-phenylpentan-3-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[(2-keto-1-phenethyl-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C24H28N2O4 MolecularWeight: 408.49012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NC(CCC3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C24H28N2O4/c1-16(25-21(17(2)27)13-12-18-8-4-3-5-9-18)23(28)26-15-20-11-7-6-10-19(20)14-22(26)24(29)30/h3-11,16,21-22,25H,12-15H2,1-2H3,(H,29,30)