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

Systemtic Name: (3S,4R)-2-(4-methylphenyl)-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-1-oxo-3-phenyl-2-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-2-(4-methylphenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-(4-methylphenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-1-keto-3-phenyl-2-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C23H19NO3 MolecularWeight: 357.40186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2[C@@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H19NO3/c1-15-11-13-17(14-12-15)24-21(16-7-3-2-4-8-16)20(23(26)27)18-9-5-6-10-19(18)22(24)25/h2-14,20-21H,1H3,(H,26,27)/t20-,21-/m1/s1