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

Systemtic Name: methyl 2,7,7-trimethyl-5-oxidanylidene-4-(3-phenoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl 2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate CAS Name: 2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: 5-keto-2,7,7-trimethyl-4-(3-phenoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C26H27NO4 MolecularWeight: 417.49688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H27NO4/c1-16-22(25(29)30-4)23(24-20(27-16)14-26(2,3)15-21(24)28)17-9-8-12-19(13-17)31-18-10-6-5-7-11-18/h5-13,23,27H,14-15H2,1-4H3