phenethyl 4-(4-methoxy-3-oxidanyl-phenyl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: phenethyl 4-(4-methoxy-3-oxidanyl-phenyl)-7,7-dimethyl-2-methylidene-5-oxidanylidene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 4-(3-hydroxy-4-methoxy-phenyl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-2-methylene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3-hydroxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-5-oxo-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(3-hydroxy-4-methoxy-phenyl)-5-keto-7,7-dimethyl-2-methylene-3,4,6,8-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(C(=C)N2)C(=O)OCCC3=CC=CC=C3)C4=CC(=C(C=C4)OC)O)C(=O)C1)C

Isomeric SMILES

CC1(CC2=C(C(C(C(=C)N2)C(=O)OCCC3=CC=CC=C3)C4=CC(=C(C=C4)OC)O)C(=O)C1)C

InChI

InChI=1S/C28H31NO5/c1-17-24(27(32)34-13-12-18-8-6-5-7-9-18)25(19-10-11-23(33-4)21(30)14-19)26-20(29-17)15-28(2,3)16-22(26)31/h5-11,14,24-25,29-30H,1,12-13,15-16H2,2-4H3