methyl (4R)-2,7,7-trimethyl-4-(3-methylphenyl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate

Systemtic Name: methyl (4R)-2,7,7-trimethyl-4-(3-methylphenyl)-5-oxidanylidene-4,4a,6,8-tetrahydroquinoline-3-carboxylate Openeye Name: methyl (4R)-2,7,7-trimethyl-4-(m-tolyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate CAS Name: (4R)-2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (4R)-2,7,7-trimethyl-4-(3-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate Traditional Name: (4R)-5-keto-2,7,7-trimethyl-4-(m-tolyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid methyl ester Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)[C@H]2C3C(=NC(=C2C(=O)OC)C)CC(CC3=O)(C)C

InChI

InChI=1S/C21H25NO3/c1-12-7-6-8-14(9-12)18-17(20(24)25-5)13(2)22-15-10-21(3,4)11-16(23)19(15)18/h6-9,18-19H,10-11H2,1-5H3/t18-,19?/m1/s1