(phenylmethyl) 4-[4-(4-cyanophenyl)butylamino]-4-oxidanylidene-2-pyrrol-1-yl-butanoate

Systemtic Name: (phenylmethyl) 4-[4-(4-cyanophenyl)butylamino]-4-oxidanylidene-2-pyrrol-1-yl-butanoate Openeye Name: benzyl 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-pyrrol-1-yl-butanoate CAS Name: 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-(1-pyrrolyl)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(4-cyanophenyl)butylamino]-4-oxo-2-pyrrol-1-ylbutanoate Traditional Name: 4-[4-(4-cyanophenyl)butylamino]-4-keto-2-pyrrol-1-yl-butyric acid benzyl ester Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC(=O)NCCCCC2=CC=C(C=C2)C#N)N3C=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CC(=O)NCCCCC2=CC=C(C=C2)C#N)N3C=CC=C3

InChI

InChI=1S/C26H27N3O3/c27-19-22-13-11-21(12-14-22)8-4-5-15-28-25(30)18-24(29-16-6-7-17-29)26(31)32-20-23-9-2-1-3-10-23/h1-3,6-7,9-14,16-17,24H,4-5,8,15,18,20H2,(H,28,30)