phenethyl 2-methylidene-4-(4-methylphenyl)-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: phenethyl 2-methylidene-4-(4-methylphenyl)-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: phenethyl 2-methylene-5-oxo-4-(p-tolyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-4-(4-methylphenyl)-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2-methylidene-4-(4-methylphenyl)-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-4-(p-tolyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester Formula: C26H27NO3 MolecularWeight: 401.49748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCCC4=CC=CC=C4

InChI

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