methyl (3S,4R)-1-oxidanylidene-2-(phenylmethyl)-3-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: methyl (3S,4R)-1-oxidanylidene-2-(phenylmethyl)-3-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: methyl (3S,4R)-2-benzyl-3-isopropyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4R)-1-oxo-2-(phenylmethyl)-3-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-2-benzyl-1-oxo-3-propan-2-yl-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4R)-2-benzyl-3-isopropyl-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid methyl ester Formula: C21H23NO3 MolecularWeight: 337.41222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C)[C@H]1[C@@H](C2=CC=CC=C2C(=O)N1CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H23NO3/c1-14(2)19-18(21(24)25-3)16-11-7-8-12-17(16)20(23)22(19)13-15-9-5-4-6-10-15/h4-12,14,18-19H,13H2,1-3H3/t18-,19+/m1/s1