[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C22H21N3O3/c23-13-14-25(18-8-2-1-3-9-18)21(26)16-28-22(27)12-6-7-17-15-24-20-11-5-4-10-19(17)20/h1-5,8-11,15,24H,6-7,12,14,16H2