(4-tert-butylcyclohexyl) 4-[(4-methylphenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-tert-butylcyclohexyl) 4-[(4-methylphenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (4-tert-butylcyclohexyl) 4-(4-methylanilino)-4-oxo-butanoate CAS Name: 4-(4-methylanilino)-4-oxobutanoic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 4-(4-methylanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(p-toluidino)butyric acid (4-tert-butylcyclohexyl) ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CCC(=O)OC2CCC(CC2)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CCC(=O)OC2CCC(CC2)C(C)(C)C

InChI

InChI=1S/C21H31NO3/c1-15-5-9-17(10-6-15)22-19(23)13-14-20(24)25-18-11-7-16(8-12-18)21(2,3)4/h5-6,9-10,16,18H,7-8,11-14H2,1-4H3,(H,22,23)