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

Systemtic Name: phenethyl 4-(3-methoxy-4-oxidanyl-phenyl)-2-methyl-5-oxidanylidene-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: phenethyl 4-(4-hydroxy-3-methoxy-phenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-hydroxy-3-methoxy-phenyl)-5-keto-2-methyl-7-phenyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid phenethyl ester Formula: C32H31NO5 MolecularWeight: 509.59224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)C3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C32H31NO5/c1-20-29(32(36)38-16-15-21-9-5-3-6-10-21)30(23-13-14-26(34)28(19-23)37-2)31-25(33-20)17-24(18-27(31)35)22-11-7-4-8-12-22/h3-14,17,19,24,30-31,33-34H,15-16,18H2,1-2H3