(3S,4R)-2-(benzimidazol-1-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4R)-2-(benzimidazol-1-yl)-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-(benzimidazol-1-yl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-2-(1-benzimidazolyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-(benzimidazol-1-yl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-(benzimidazol-1-yl)-1-keto-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C23H17N3O3 MolecularWeight: 383.39938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2N4C=NC5=CC=CC=C54)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)N2N4C=NC5=CC=CC=C54)C(=O)O

InChI

InChI=1S/C23H17N3O3/c27-22-17-11-5-4-10-16(17)20(23(28)29)21(15-8-2-1-3-9-15)26(22)25-14-24-18-12-6-7-13-19(18)25/h1-14,20-21H,(H,28,29)/t20-,21-/m1/s1