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

Systemtic Name: methyl 3-[4-aminocarbonyl-1-butyl-3-(4-cyanophenyl)-5-methyl-pyrrol-2-yl]propanoate Openeye Name: methyl 3-[1-butyl-4-carbamoyl-3-(4-cyanophenyl)-5-methyl-pyrrol-2-yl]propanoate CAS Name: 3-[1-butyl-4-carbamoyl-3-(4-cyanophenyl)-5-methyl-2-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-butyl-4-carbamoyl-3-(4-cyanophenyl)-5-methylpyrrol-2-yl]propanoate Traditional Name: 3-[1-butyl-4-carbamoyl-3-(4-cyanophenyl)-5-methyl-pyrrol-2-yl]propionic acid methyl ester Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=C1CCC(=O)OC)C2=CC=C(C=C2)C#N)C(=O)N)C

Isomeric SMILES

CCCCN1C(=C(C(=C1CCC(=O)OC)C2=CC=C(C=C2)C#N)C(=O)N)C

InChI

InChI=1S/C21H25N3O3/c1-4-5-12-24-14(2)19(21(23)26)20(17(24)10-11-18(25)27-3)16-8-6-15(13-22)7-9-16/h6-9H,4-5,10-12H2,1-3H3,(H2,23,26)