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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=CC=C3)OCC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CC(C=C2N1)(C)C)C3=CC(=CC=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)19-11-8-12-20(13-19)32-16-18-9-6-5-7-10-18/h5-14,24-25,28H,15-16H2,1-4H3