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

Systemtic Name: methyl 3-[4-aminocarbonyl-3-(4-bromophenyl)-1-(cyclohexylmethyl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[3-(4-bromophenyl)-4-carbamoyl-1-(cyclohexylmethyl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[3-(4-bromophenyl)-4-carbamoyl-1-(cyclohexylmethyl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(4-bromophenyl)-4-carbamoyl-1-(cyclohexylmethyl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[3-(4-bromophenyl)-4-carbamoyl-1-(cyclohexylmethyl)-5-methyl-pyrrol-2-yl]propionic acid methyl ester Formula: C23H29BrN2O3 MolecularWeight: 461.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2CCCCC2)CCC(=O)OC)C3=CC=C(C=C3)Br)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2CCCCC2)CCC(=O)OC)C3=CC=C(C=C3)Br)C(=O)N

InChI

InChI=1S/C23H29BrN2O3/c1-15-21(23(25)28)22(17-8-10-18(24)11-9-17)19(12-13-20(27)29-2)26(15)14-16-6-4-3-5-7-16/h8-11,16H,3-7,12-14H2,1-2H3,(H2,25,28)