methyl 4-(4-aminocarbonyl-1-butyl-5-methyl-2-propyl-pyrrol-3-yl)benzoate

Systemtic Name: methyl 4-(4-aminocarbonyl-1-butyl-5-methyl-2-propyl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(1-butyl-4-carbamoyl-5-methyl-2-propyl-pyrrol-3-yl)benzoate CAS Name: 4-(1-butyl-4-carbamoyl-5-methyl-2-propyl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(1-butyl-4-carbamoyl-5-methyl-2-propylpyrrol-3-yl)benzoate Traditional Name: 4-(1-butyl-4-carbamoyl-5-methyl-2-propyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1CCC)C2=CC=C(C=C2)C(=O)OC)C(=O)N)C

Isomeric SMILES

CCCCN1C(=C(C(=C1CCC)C2=CC=C(C=C2)C(=O)OC)C(=O)N)C

InChI

InChI=1S/C21H28N2O3/c1-5-7-13-23-14(3)18(20(22)24)19(17(23)8-6-2)15-9-11-16(12-10-15)21(25)26-4/h9-12H,5-8,13H2,1-4H3,(H2,22,24)