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

Systemtic Name: (3S,4R)-3-(4-ethylphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: (3S,4R)-3-(4-ethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate CAS Name: (3S,4R)-3-(4-ethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate IUPAC Name: (3S,4R)-3-(4-ethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: (3S,4R)-3-(4-ethylphenyl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylate Formula: C19H18NO3- MolecularWeight: 308.35112

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C3=CC=CC=C3C(=O)N2C)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)[C@@H]2[C@@H](C3=CC=CC=C3C(=O)N2C)C(=O)[O-]

InChI

InChI=1S/C19H19NO3/c1-3-12-8-10-13(11-9-12)17-16(19(22)23)14-6-4-5-7-15(14)18(21)20(17)2/h4-11,16-17H,3H2,1-2H3,(H,22,23)/p-1/t16-,17-/m1/s1