[1-[cyclohexyl(methyl)amino]-1-oxidanylidene-propan-2-yl] 3-pyrrol-1-ylbenzoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C1CCCCC1)OC(=O)C2=CC(=CC=C2)N3C=CC=C3

Isomeric SMILES

CC(C(=O)N(C)C1CCCCC1)OC(=O)C2=CC(=CC=C2)N3C=CC=C3

InChI

InChI=1S/C21H26N2O3/c1-16(20(24)22(2)18-10-4-3-5-11-18)26-21(25)17-9-8-12-19(15-17)23-13-6-7-14-23/h6-9,12-16,18H,3-5,10-11H2,1-2H3