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

Systemtic Name: (phenylmethyl) 2-methylidene-5-oxidanylidene-4-(2-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Openeye Name: benzyl 4-(2-isopropoxyphenyl)-2-methylene-5-oxo-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate CAS Name: 2-methylene-5-oxo-4-(2-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-methylidene-5-oxo-4-(2-propan-2-yloxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-3-carboxylate Traditional Name: 4-(2-isopropoxyphenyl)-5-keto-2-methylene-1,3,4,6,7,8-hexahydroquinoline-3-carboxylic acid benzyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC=C1C2C(C(=C)NC3=C2C(=O)CCC3)C(=O)OCC4=CC=CC=C4

InChI

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