4-[4-(4-cyanophenyl)butylamino]-4-oxidanylidene-2-pyrrol-1-yl-butanoic acid

Systemtic Name: 4-[4-(4-cyanophenyl)butylamino]-4-oxidanylidene-2-pyrrol-1-yl-butanoic acid Openeye Name: 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-pyrrol-1-yl-butanoic acid CAS Name: 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-(1-pyrrolyl)butanoic acid IUPAC Name: 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-pyrrol-1-ylbutanoic acid Traditional Name: 4-[4-(4-cyanophenyl)butylamino]-4-keto-2-pyrrol-1-yl-butyric acid Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C(CC(=O)NCCCCC2=CC=C(C=C2)C#N)C(=O)O

Isomeric SMILES

C1=CN(C=C1)C(CC(=O)NCCCCC2=CC=C(C=C2)C#N)C(=O)O

InChI

InChI=1S/C19H21N3O3/c20-14-16-8-6-15(7-9-16)5-1-2-10-21-18(23)13-17(19(24)25)22-11-3-4-12-22/h3-4,6-9,11-12,17H,1-2,5,10,13H2,(H,21,23)(H,24,25)