(3S,4R)-2-methyl-3-(4-methylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: (3S,4R)-2-methyl-3-(4-methylphenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3S,4R)-2-methyl-1-oxo-3-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4R)-2-methyl-3-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3S,4R)-2-methyl-3-(4-methylphenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4R)-1-keto-2-methyl-3-(p-tolyl)-3,4-dihydroisoquinoline-4-carboxylate Formula: C18H16NO3- MolecularWeight: 294.32454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)N2C)C(=O)[O-]

InChI

InChI=1S/C18H17NO3/c1-11-7-9-12(10-8-11)16-15(18(21)22)13-5-3-4-6-14(13)17(20)19(16)2/h3-10,15-16H,1-2H3,(H,21,22)/p-1/t15-,16-/m1/s1