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

Systemtic Name: phenethyl 4-(3-methoxyphenyl)-2-methylidene-5-oxidanylidene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: phenethyl 4-(3-methoxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 4-(3-methoxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3-methoxyphenyl)-2-methylidene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-4-(3-methoxyphenyl)-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27NO4/c1-17-23(26(29)31-15-14-18-8-4-3-5-9-18)24(19-10-6-11-20(16-19)30-2)25-21(27-17)12-7-13-22(25)28/h3-6,8-11,16,23-24,27H,1,7,12-15H2,2H3