phenethyl (4S)-2-methyl-4-(2-methylphenyl)-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate

Systemtic Name: phenethyl (4S)-2-methyl-4-(2-methylphenyl)-5-oxidanylidene-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Openeye Name: phenethyl (4S)-2-methyl-4-(o-tolyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate CAS Name: (4S)-2-methyl-4-(2-methylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl (4S)-2-methyl-4-(2-methylphenyl)-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylate Traditional Name: (4S)-5-keto-2-methyl-4-(o-tolyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carboxylic acid phenethyl ester Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CCCC3=O

Isomeric SMILES

CC1=CC=CC=C1[C@@H]2C3C(=NC(=C2C(=O)OCCC4=CC=CC=C4)C)CCCC3=O

InChI

InChI=1S/C26H27NO3/c1-17-9-6-7-12-20(17)24-23(18(2)27-21-13-8-14-22(28)25(21)24)26(29)30-16-15-19-10-4-3-5-11-19/h3-7,9-12,24-25H,8,13-16H2,1-2H3/t24-,25?/m0/s1