propan-2-yl 2-methylidene-5-oxidanylidene-4-(2-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate

Systemtic Name: propan-2-yl 2-methylidene-5-oxidanylidene-4-(2-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: isopropyl 4-(2-benzyloxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-5-oxo-4-(2-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-methylidene-5-oxo-4-(2-phenylmethoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(2-benzoxyphenyl)-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid isopropyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CC=CC=C3OCC4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C1C(C2=C(CCCC2=O)NC1=C)C3=CC=CC=C3OCC4=CC=CC=C4

InChI

InChI=1S/C27H29NO4/c1-17(2)32-27(30)24-18(3)28-21-13-9-14-22(29)26(21)25(24)20-12-7-8-15-23(20)31-16-19-10-5-4-6-11-19/h4-8,10-12,15,17,24-25,28H,3,9,13-14,16H2,1-2H3