[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1-methylindole-3-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 1-methylindole-3-carboxylate CAS Name: 1-methyl-3-indolecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 1-methylindole-3-carboxylate Traditional Name: 1-methylindole-3-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)N3CCCCCC3

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)C(=O)OCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H22N2O3/c1-19-12-15(14-8-4-5-9-16(14)19)18(22)23-13-17(21)20-10-6-2-3-7-11-20/h4-5,8-9,12H,2-3,6-7,10-11,13H2,1H3