3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-methyl-indole-2-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N3CCCCCC3

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N3CCCCCC3

InChI

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