phenethyl 4-(4-ethylphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: phenethyl 4-(4-ethylphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-ethylphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(4-ethylphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-ethylphenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C27H29NO3 MolecularWeight: 415.52406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C3C(=O)CCC=C3NC(=C2C(=O)OCCC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2C3C(=O)CCC=C3NC(=C2C(=O)OCCC4=CC=CC=C4)C

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/h4-6,8-10,12-15,25-26,28H,3,7,11,16-17H2,1-2H3