methyl (3R,4R)-1-oxidanylidene-3-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: methyl (3R,4R)-1-oxidanylidene-3-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: methyl (3R,4R)-2-benzyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3R,4R)-1-oxo-3-phenyl-2-(phenylmethyl)-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl (3R,4R)-2-benzyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3R,4R)-2-benzyl-1-keto-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester Formula: C24H21NO3 MolecularWeight: 371.42844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(N(C(=O)C2=CC=CC=C12)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H]1[C@@H](N(C(=O)C2=CC=CC=C12)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H21NO3/c1-28-24(27)21-19-14-8-9-15-20(19)23(26)25(16-17-10-4-2-5-11-17)22(21)18-12-6-3-7-13-18/h2-15,21-22H,16H2,1H3/t21-,22+/m1/s1