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

Systemtic Name: phenethyl 2-methylidene-5-oxidanylidene-4-(3-phenoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: phenethyl 2-methylene-5-oxo-4-(3-phenoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-5-oxo-4-(3-phenoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid phenethyl ester IUPAC Name: phenethyl 2-methylidene-5-oxo-4-(3-phenoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 5-keto-2-methylene-4-(3-phenoxyphenyl)-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)CCCC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCCC5=CC=CC=C5

Isomeric SMILES

C=C1C(C(C2=C(N1)CCCC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OCCC5=CC=CC=C5

InChI

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