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

Systemtic Name: methyl 4-(4-aminocarbonyl-2-butyl-5-methyl-1-phenethyl-pyrrol-3-yl)benzoate Openeye Name: methyl 4-(2-butyl-4-carbamoyl-5-methyl-1-phenethyl-pyrrol-3-yl)benzoate CAS Name: 4-(2-butyl-4-carbamoyl-5-methyl-1-phenethyl-3-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 4-(2-butyl-4-carbamoyl-5-methyl-1-phenethylpyrrol-3-yl)benzoate Traditional Name: 4-(2-butyl-4-carbamoyl-5-methyl-1-phenethyl-pyrrol-3-yl)benzoic acid methyl ester Formula: C26H30N2O3 MolecularWeight: 418.528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCC2=CC=CC=C2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCC1=C(C(=C(N1CCC2=CC=CC=C2)C)C(=O)N)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C26H30N2O3/c1-4-5-11-22-24(20-12-14-21(15-13-20)26(30)31-3)23(25(27)29)18(2)28(22)17-16-19-9-7-6-8-10-19/h6-10,12-15H,4-5,11,16-17H2,1-3H3,(H2,27,29)