2-[6,7-diethoxy-2-[(phenylmethyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid

Systemtic Name: 2-[6,7-diethoxy-2-[(phenylmethyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanoic acid Openeye Name: 2-[2-(benzylcarbamoyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid CAS Name: 2-[6,7-diethoxy-2-[oxo-[(phenylmethyl)amino]methyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid IUPAC Name: 2-[2-(benzylcarbamoyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Traditional Name: 2-[2-(benzylcarbamoyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NCC3=CC=CC=C3)CC(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(N(CCC2=C1)C(=O)NCC3=CC=CC=C3)CC(=O)O)OCC

InChI

InChI=1S/C23H28N2O5/c1-3-29-20-12-17-10-11-25(23(28)24-15-16-8-6-5-7-9-16)19(14-22(26)27)18(17)13-21(20)30-4-2/h5-9,12-13,19H,3-4,10-11,14-15H2,1-2H3,(H,24,28)(H,26,27)