[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)C)N3C=CC=C3

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)C)N3C=CC=C3

InChI

InChI=1S/C21H26N2O3/c1-15-5-9-18(10-6-15)22-20(24)14-26-21(25)17-8-7-16(2)19(13-17)23-11-3-4-12-23/h3-4,7-8,11-13,15,18H,5-6,9-10,14H2,1-2H3,(H,22,24)