2-[2-[ethoxycarbonyl(3-phenylpropyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[ethoxycarbonyl(3-phenylpropyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[ethoxycarbonyl(3-phenylpropyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[ethoxycarbonyl(3-phenylpropyl)amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[ethoxycarbonyl(3-phenylpropyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[carbethoxy(3-phenylpropyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(CCCC1=CC=CC=C1)C(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

CCOC(=O)N(CCCC1=CC=CC=C1)C(C)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

InChI

InChI=1S/C25H30N2O5/c1-3-32-25(31)26(15-9-12-19-10-5-4-6-11-19)18(2)23(28)27-17-21-14-8-7-13-20(21)16-22(27)24(29)30/h4-8,10-11,13-14,18,22H,3,9,12,15-17H2,1-2H3,(H,29,30)