[2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[2-(1H-indol-3-yl)ethylamino]-2-keto-ethyl] ester Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CCNC(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H17N3O3/c21-11-14-5-7-15(8-6-14)20(25)26-13-19(24)22-10-9-16-12-23-18-4-2-1-3-17(16)18/h1-8,12,23H,9-10,13H2,(H,22,24)