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

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] 4-butoxybenzoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H21NO4/c1-2-3-12-25-16-10-8-15(9-11-16)21(24)26-14-20(23)18-13-22-19-7-5-4-6-17(18)19/h4-11,13,22H,2-3,12,14H2,1H3