(3R,4S)-2-[(4-chlorophenyl)methyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3R,4S)-2-[(4-chlorophenyl)methyl]-1-oxidanylidene-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3R,4S)-2-[(4-chlorophenyl)methyl]-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3R,4S)-2-[(4-chlorophenyl)methyl]-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3R,4S)-2-[(4-chlorophenyl)methyl]-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3R,4S)-2-(4-chlorobenzyl)-1-keto-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C23H18ClNO3 MolecularWeight: 391.84692

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)Cl)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2[C@H](C3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)Cl)C(=O)O

InChI

InChI=1S/C23H18ClNO3/c24-17-12-10-15(11-13-17)14-25-21(16-6-2-1-3-7-16)20(23(27)28)18-8-4-5-9-19(18)22(25)26/h1-13,20-21H,14H2,(H,27,28)/t20-,21-/m0/s1