methyl 3-[4-aminocarbonyl-3-(4-cyanophenyl)-5-methyl-1-(phenylmethyl)pyrrol-2-yl]propanoate

Systemtic Name: methyl 3-[4-aminocarbonyl-3-(4-cyanophenyl)-5-methyl-1-(phenylmethyl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-benzyl-4-carbamoyl-3-(4-cyanophenyl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-3-(4-cyanophenyl)-5-methyl-1-(phenylmethyl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-benzyl-4-carbamoyl-3-(4-cyanophenyl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[1-benzyl-4-carbamoyl-3-(4-cyanophenyl)-5-methyl-pyrrol-2-yl]propionic acid methyl ester Formula: C24H23N3O3 MolecularWeight: 401.45772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC2=CC=CC=C2)CCC(=O)OC)C3=CC=C(C=C3)C#N)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC2=CC=CC=C2)CCC(=O)OC)C3=CC=C(C=C3)C#N)C(=O)N

InChI

InChI=1S/C24H23N3O3/c1-16-22(24(26)29)23(19-10-8-17(14-25)9-11-19)20(12-13-21(28)30-2)27(16)15-18-6-4-3-5-7-18/h3-11H,12-13,15H2,1-2H3,(H2,26,29)