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

Systemtic Name: methyl 3-[4-aminocarbonyl-3-(4-cyanophenyl)-5-methyl-1-(3-methylbutan-2-yl)pyrrol-2-yl]propanoate Openeye Name: methyl 3-[4-carbamoyl-3-(4-cyanophenyl)-1-(1,2-dimethylpropyl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[4-carbamoyl-3-(4-cyanophenyl)-5-methyl-1-(3-methylbutan-2-yl)-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamoyl-3-(4-cyanophenyl)-5-methyl-1-(3-methylbutan-2-yl)pyrrol-2-yl]propanoate Traditional Name: 3-[4-carbamoyl-3-(4-cyanophenyl)-1-(1,2-dimethylpropyl)-5-methyl-pyrrol-2-yl]propionic acid methyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C(C)C(C)C)CCC(=O)OC)C2=CC=C(C=C2)C#N)C(=O)N

Isomeric SMILES

CC1=C(C(=C(N1C(C)C(C)C)CCC(=O)OC)C2=CC=C(C=C2)C#N)C(=O)N

InChI

InChI=1S/C22H27N3O3/c1-13(2)14(3)25-15(4)20(22(24)27)21(18(25)10-11-19(26)28-5)17-8-6-16(12-23)7-9-17/h6-9,13-14H,10-11H2,1-5H3,(H2,24,27)