4-[(2-methyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-methyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(2-methyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(2-methyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(2-methyl-5-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]butyric acid Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C=CC(=C2C1)NC(=O)CCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CN1CCC2=C(C=CC(=C2C1)NC(=O)CCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3/c1-22-12-11-16-15(14-5-3-2-4-6-14)7-8-18(17(16)13-22)21-19(23)9-10-20(24)25/h2-8H,9-13H2,1H3,(H,21,23)(H,24,25)