[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 1H-indole-3-carboxylate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 1H-indole-3-carboxylate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 1H-indole-3-carboxylate CAS Name: 1H-indole-3-carboxylic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 1H-indole-3-carboxylate Traditional Name: 1H-indole-3-carboxylic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H21NO3/c1-2-3-6-15-9-11-16(12-10-15)20(23)14-25-21(24)18-13-22-19-8-5-4-7-17(18)19/h4-5,7-13,22H,2-3,6,14H2,1H3