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

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]indole-2-carboxylic acid Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]indole-2-carboxylic acid CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-2-indolecarboxylic acid IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]indole-2-carboxylic acid Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]indole-2-carboxylic acid Formula: C17H20N2O3 MolecularWeight: 300.3523

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3C=C2C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3C=C2C(=O)O

InChI

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