3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-chloranyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-chloranyl-1H-indole-2-carboxylic acid Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-chloro-1H-indole-2-carboxylic acid CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-5-chloro-1H-indole-2-carboxylic acid Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-5-chloro-1H-indole-2-carboxylic acid Formula: C17H19ClN2O3 MolecularWeight: 334.79736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CC2=C(NC3=C2C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C17H19ClN2O3/c18-11-5-6-14-12(9-11)13(16(19-14)17(22)23)10-15(21)20-7-3-1-2-4-8-20/h5-6,9,19H,1-4,7-8,10H2,(H,22,23)