methyl 4-[4-aminocarbonyl-2-butyl-1-(cyclohexylmethyl)-5-methyl-pyrrol-3-yl]benzoate

Systemtic Name: methyl 4-[4-aminocarbonyl-2-butyl-1-(cyclohexylmethyl)-5-methyl-pyrrol-3-yl]benzoate Openeye Name: methyl 4-[2-butyl-4-carbamoyl-1-(cyclohexylmethyl)-5-methyl-pyrrol-3-yl]benzoate CAS Name: 4-[2-butyl-4-carbamoyl-1-(cyclohexylmethyl)-5-methyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-butyl-4-carbamoyl-1-(cyclohexylmethyl)-5-methylpyrrol-3-yl]benzoate Traditional Name: 4-[2-butyl-4-carbamoyl-1-(cyclohexylmethyl)-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C25H34N2O3 MolecularWeight: 410.54906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2CCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2CCCCC2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H34N2O3/c1-4-5-11-21-23(19-12-14-20(15-13-19)25(29)30-3)22(24(26)28)17(2)27(21)16-18-9-7-6-8-10-18/h12-15,18H,4-11,16H2,1-3H3,(H2,26,28)