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

Systemtic Name: phenethyl 4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-methylidene-5-oxidanylidene-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: phenethyl 4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-methylene-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methylene-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methylidene-5-oxo-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-5-keto-2-methylene-7-phenyl-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester Formula: C32H30ClNO5 MolecularWeight: 544.0373

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(C(=C)NC3=C2C(=O)CC(C3)C4=CC=CC=C4)C(=O)OCCC5=CC=CC=C5)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(C(=C)NC3=C2C(=O)CC(C3)C4=CC=CC=C4)C(=O)OCCC5=CC=CC=C5)Cl)O

InChI

InChI=1S/C32H30ClNO5/c1-19-28(32(37)39-14-13-20-9-5-3-6-10-20)29(23-15-24(33)31(36)27(18-23)38-2)30-25(34-19)16-22(17-26(30)35)21-11-7-4-8-12-21/h3-12,15,18,22,28-29,34,36H,1,13-14,16-17H2,2H3