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

Systemtic Name: methyl 4-[4-aminocarbonyl-2-butyl-5-methyl-1-(3-oxidanylpropyl)pyrrol-3-yl]benzoate Openeye Name: methyl 4-[2-butyl-4-carbamoyl-1-(3-hydroxypropyl)-5-methyl-pyrrol-3-yl]benzoate CAS Name: 4-[2-butyl-4-carbamoyl-1-(3-hydroxypropyl)-5-methyl-3-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-butyl-4-carbamoyl-1-(3-hydroxypropyl)-5-methylpyrrol-3-yl]benzoate Traditional Name: 4-[2-butyl-4-carbamoyl-1-(3-hydroxypropyl)-5-methyl-pyrrol-3-yl]benzoic acid methyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCCO)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=C(N1CCCO)C)C(=O)N)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H28N2O4/c1-4-5-7-17-19(15-8-10-16(11-9-15)21(26)27-3)18(20(22)25)14(2)23(17)12-6-13-24/h8-11,24H,4-7,12-13H2,1-3H3,(H2,22,25)