2-(4-azanyl-4-oxidanylidene-butyl)-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 2-(4-azanyl-4-oxidanylidene-butyl)-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-(4-amino-4-oxo-butyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-(4-amino-4-oxobutyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-(4-amino-4-oxobutyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-(4-amino-4-keto-butyl)-1-keto-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CCCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CCCC(=O)N)C(=O)O

InChI

InChI=1S/C20H20N2O4/c21-16(23)11-6-12-22-18(13-7-2-1-3-8-13)17(20(25)26)14-9-4-5-10-15(14)19(22)24/h1-5,7-10,17-18H,6,11-12H2,(H2,21,23)(H,25,26)