methyl 2,7,7-trimethyl-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl 2,7,7-trimethyl-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 4-(4-benzyloxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-(4-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2,7,7-trimethyl-5-oxo-4-(4-phenylmethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 4-(4-benzoxyphenyl)-5-keto-2,7,7-trimethyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C27H29NO4 MolecularWeight: 431.52346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H29NO4/c1-17-23(26(30)31-4)24(25-21(28-17)14-27(2,3)15-22(25)29)19-10-12-20(13-11-19)32-16-18-8-6-5-7-9-18/h5-13,24,28H,14-16H2,1-4H3