methyl 3-[4-aminocarbonyl-3-(4-bromophenyl)-1-butyl-5-methyl-pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-3-(4-bromophenyl)-1-butyl-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[3-(4-bromophenyl)-1-butyl-4-carbamoyl-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[3-(4-bromophenyl)-1-butyl-4-carbamoyl-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-bromophenyl)-1-butyl-4-carbamoyl-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[3-(4-bromophenyl)-1-butyl-4-carbamoyl-5-methyl-pyrrol-2-yl]propionic acid methyl ester Formula: C20H25BrN2O3 MolecularWeight: 421.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O3/c1-4-5-12-23-13(2)18(20(22)25)19(14-6-8-15(21)9-7-14)16(23)10-11-17(24)26-3/h6-9H,4-5,10-12H2,1-3H3,(H2,22,25)