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

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 4-(1H-indol-3-yl)butanoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 4-(1H-indol-3-yl)butanoate CAS Name: 4-(1H-indol-3-yl)butanoic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 4-(1H-indol-3-yl)butanoate Traditional Name: 4-(1H-indol-3-yl)butyric acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C20H19IN2O3 MolecularWeight: 462.28093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19IN2O3/c21-15-6-4-7-16(11-15)23-19(24)13-26-20(25)10-3-5-14-12-22-18-9-2-1-8-17(14)18/h1-2,4,6-9,11-12,22H,3,5,10,13H2,(H,23,24)