[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate CAS Name: 4-(2,5-dimethyl-1-pyrrolyl)benzoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-(2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 4-(2,5-dimethylpyrrol-1-yl)benzoic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C22H28N2O3 MolecularWeight: 368.46932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=CC=C(C=C2)N3C(=CC=C3C)C

InChI

InChI=1S/C22H28N2O3/c1-15-4-10-19(11-5-15)23-21(25)14-27-22(26)18-8-12-20(13-9-18)24-16(2)6-7-17(24)3/h6-9,12-13,15,19H,4-5,10-11,14H2,1-3H3,(H,23,25)