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

Systemtic Name: methyl 3-[4-aminocarbonyl-3-(4-bromophenyl)-5-methyl-1-phenethyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[3-(4-bromophenyl)-4-carbamoyl-5-methyl-1-phenethyl-pyrrol-2-yl]propanoate CAS Name: 3-[3-(4-bromophenyl)-4-carbamoyl-5-methyl-1-phenethyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-bromophenyl)-4-carbamoyl-5-methyl-1-phenethylpyrrol-2-yl]propanoate Traditional Name: 3-[3-(4-bromophenyl)-4-carbamoyl-5-methyl-1-phenethyl-pyrrol-2-yl]propionic acid methyl ester Formula: C24H25BrN2O3 MolecularWeight: 469.3709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CCC2=CC=CC=C2)CCC(=O)OC)C3=CC=C(C=C3)Br)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CCC2=CC=CC=C2)CCC(=O)OC)C3=CC=C(C=C3)Br)C(=O)N

InChI

InChI=1S/C24H25BrN2O3/c1-16-22(24(26)29)23(18-8-10-19(25)11-9-18)20(12-13-21(28)30-2)27(16)15-14-17-6-4-3-5-7-17/h3-11H,12-15H2,1-2H3,(H2,26,29)