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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-ethyl-indole-2-carboxylic acid Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-1-ethyl-indole-2-carboxylic acid CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-1-ethyl-2-indolecarboxylic acid IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-1-ethylindole-2-carboxylic acid Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-1-ethyl-indole-2-carboxylic acid Formula: C19H24N2O3 MolecularWeight: 328.40546

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N3CCCCCC3

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C(=O)O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C19H24N2O3/c1-2-21-16-10-6-5-9-14(16)15(18(21)19(23)24)13-17(22)20-11-7-3-4-8-12-20/h5-6,9-10H,2-4,7-8,11-13H2,1H3,(H,23,24)