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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC(=O)NC3=CC=C(C=C3)CC#N

InChI

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