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

Systemtic Name: (3S,4R)-3-(2-bromophenyl)-1-oxidanylidene-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4R)-2-benzyl-3-(2-bromophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4R)-3-(2-bromophenyl)-1-oxo-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4R)-2-benzyl-3-(2-bromophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4R)-2-benzyl-3-(2-bromophenyl)-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C23H18BrNO3 MolecularWeight: 436.29792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C(C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C(C=C1)CN2[C@@H]([C@@H](C3=CC=CC=C3C2=O)C(=O)O)C4=CC=CC=C4Br

InChI

InChI=1S/C23H18BrNO3/c24-19-13-7-6-12-18(19)21-20(23(27)28)16-10-4-5-11-17(16)22(26)25(21)14-15-8-2-1-3-9-15/h1-13,20-21H,14H2,(H,27,28)/t20-,21-/m1/s1