[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 3-acetamidobenzoate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 3-acetamidobenzoate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C22H19N3O4/c1-15(26)24-17-7-4-6-16(12-17)22(28)29-14-21(27)19-13-25(11-5-10-23)20-9-3-2-8-18(19)20/h2-4,6-9,12-13H,5,11,14H2,1H3,(H,24,26)