[1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 1H-indole-2-carboxylate

Systemtic Name: [1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 1H-indole-2-carboxylate Openeye Name: [2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 1H-indole-2-carboxylate CAS Name: 1H-indole-2-carboxylic acid [1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 1H-indole-2-carboxylate Traditional Name: 1H-indole-2-carboxylic acid [2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=CC=CC=C3N2

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC3=CC=CC=C3N2

InChI

InChI=1S/C22H22N2O4/c1-3-6-20(25)23-17-11-9-15(10-12-17)21(26)14(2)28-22(27)19-13-16-7-4-5-8-18(16)24-19/h4-5,7-14,24H,3,6H2,1-2H3,(H,23,25)