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

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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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)C#N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3/c22-18-10-16(9-8-14(18)11-23)25-20(26)13-28-21(27)7-3-4-15-12-24-19-6-2-1-5-17(15)19/h1-2,5-6,8-10,12,24H,3-4,7,13H2,(H,25,26)