methyl 4-(4-tert-butylphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate

Systemtic Name: methyl 4-(4-tert-butylphenyl)-2-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Openeye Name: methyl 4-(4-tert-butylphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate CAS Name: 4-(4-tert-butylphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-tert-butylphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylate Traditional Name: 4-(4-tert-butylphenyl)-5-keto-2-methyl-4,4a,6,7-tetrahydro-1H-quinoline-3-carboxylic acid methyl ester Formula: C22H27NO3 MolecularWeight: 353.45468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(C(C2C(=O)CCC=C2N1)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C22H27NO3/c1-13-18(21(25)26-5)19(20-16(23-13)7-6-8-17(20)24)14-9-11-15(12-10-14)22(2,3)4/h7,9-12,19-20,23H,6,8H2,1-5H3