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

Systemtic Name: 2-(3-azanyl-3-oxidanylidene-propyl)-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-(3-amino-3-oxo-propyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-(3-amino-3-oxopropyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-(3-amino-3-oxopropyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 2-(3-amino-3-keto-propyl)-1-keto-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C19H18N2O4 MolecularWeight: 338.35722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CCC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CCC(=O)N)C(=O)O

InChI

InChI=1S/C19H18N2O4/c20-15(22)10-11-21-17(12-6-2-1-3-7-12)16(19(24)25)13-8-4-5-9-14(13)18(21)23/h1-9,16-17H,10-11H2,(H2,20,22)(H,24,25)