(3S,4S)-3-(4-ethylphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: (3S,4S)-3-(4-ethylphenyl)-2-methyl-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: (3S,4S)-3-(4-ethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: (3S,4S)-3-(4-ethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: (3S,4S)-3-(4-ethylphenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: (3S,4S)-3-(4-ethylphenyl)-1-keto-2-methyl-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C19H19NO3 MolecularWeight: 309.35906

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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)/t16-,17+/m0/s1