methyl 2-(azepan-1-ylcarbonylamino)benzoate hydrochloride

Systemtic Name: methyl 2-(azepan-1-ylcarbonylamino)benzoate hydrochloride Openeye Name: methyl 2-(azepane-1-carbonylamino)benzoate hydrochloride CAS Name: 2-[[1-azepanyl(oxo)methyl]amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 2-(azepane-1-carbonylamino)benzoate hydrochloride Traditional Name: 2-(azepane-1-carbonylamino)benzoic acid methyl ester hydrochloride Formula: C15H21ClN2O3 MolecularWeight: 312.79184

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)N2CCCCCC2.Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)N2CCCCCC2.Cl

InChI

InChI=1S/C15H20N2O3.ClH/c1-20-14(18)12-8-4-5-9-13(12)16-15(19)17-10-6-2-3-7-11-17;/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,16,19);1H