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

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1H-indole-2-carboxylate Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-1H-indole-2-carboxylate CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-1H-indole-2-carboxylate IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-1H-indole-2-carboxylate Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-1H-indole-2-carboxylate Formula: C17H19N2O3- MolecularWeight: 299.34436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2=C(NC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CC2=C(NC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C17H20N2O3/c20-15(19-9-5-1-2-6-10-19)11-13-12-7-3-4-8-14(12)18-16(13)17(21)22/h3-4,7-8,18H,1-2,5-6,9-11H2,(H,21,22)/p-1