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

Systemtic Name: phenethyl 4-(4-hydroxyphenyl)-2-methylidene-5-oxidanylidene-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: phenethyl 4-(4-hydroxyphenyl)-2-methylene-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(4-hydroxyphenyl)-2-methylene-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(4-hydroxyphenyl)-2-methylidene-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(4-hydroxyphenyl)-5-keto-2-methylene-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester Formula: C31H29NO4 MolecularWeight: 479.56626

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)O)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

C=C1C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)O)C(=O)OCCC5=CC=CC=C5

InChI

InChI=1S/C31H29NO4/c1-20-28(31(35)36-17-16-21-8-4-2-5-9-21)29(23-12-14-25(33)15-13-23)30-26(32-20)18-24(19-27(30)34)22-10-6-3-7-11-22/h2-15,24,28-29,32-33H,1,16-19H2