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

Systemtic Name: phenethyl 4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: phenethyl 4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-methylene-5-oxo-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-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester Formula: C26H26ClNO5 MolecularWeight: 467.94134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCCC4=CC=CC=C4)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCCC4=CC=CC=C4)Cl)O

InChI

InChI=1S/C26H26ClNO5/c1-15-22(26(31)33-12-11-16-7-4-3-5-8-16)23(24-19(28-15)9-6-10-20(24)29)17-13-18(27)25(30)21(14-17)32-2/h3-5,7-8,13-14,22-23,28,30H,1,6,9-12H2,2H3