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

Systemtic Name: methyl 3-[4-aminocarbonyl-3-(4-cyanophenyl)-5-methyl-1-prop-2-enyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-allyl-4-carbamoyl-3-(4-cyanophenyl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-3-(4-cyanophenyl)-5-methyl-1-prop-2-enyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-3-(4-cyanophenyl)-5-methyl-1-prop-2-enylpyrrol-2-yl]propanoate Traditional Name: 3-[1-allyl-4-carbamoyl-3-(4-cyanophenyl)-5-methyl-pyrrol-2-yl]propionic acid methyl ester Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1CC=C)CCC(=O)OC)C2=CC=C(C=C2)C#N)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1CC=C)CCC(=O)OC)C2=CC=C(C=C2)C#N)C(=O)N

InChI

InChI=1S/C20H21N3O3/c1-4-11-23-13(2)18(20(22)25)19(16(23)9-10-17(24)26-3)15-7-5-14(12-21)6-8-15/h4-8H,1,9-11H2,2-3H3,(H2,22,25)