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

Systemtic Name: phenethyl 4-(4-ethylphenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: phenethyl 4-(4-ethylphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(4-ethylphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(4-ethylphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester Formula: C27H29NO3 MolecularWeight: 415.52406

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H29NO3/c1-3-19-12-14-21(15-13-19)25-24(18(2)28-22-10-7-11-23(29)26(22)25)27(30)31-17-16-20-8-5-4-6-9-20/h4-6,8-9,12-15,24-25,28H,2-3,7,10-11,16-17H2,1H3