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

Systemtic Name: (3S,4R)-2-(4-bromophenyl)-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-(4-bromophenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-2-(4-bromophenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-(4-bromophenyl)-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-(4-bromophenyl)-1-keto-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C22H16BrNO3 MolecularWeight: 422.27134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br)C(=O)O

InChI

InChI=1S/C22H16BrNO3/c23-15-10-12-16(13-11-15)24-20(14-6-2-1-3-7-14)19(22(26)27)17-8-4-5-9-18(17)21(24)25/h1-13,19-20H,(H,26,27)/t19-,20-/m1/s1