(phenylmethyl) 2-(3-azanyl-2-oxidanylidene-azepan-1-yl)propanoate hydrochloride

Systemtic Name: (phenylmethyl) 2-(3-azanyl-2-oxidanylidene-azepan-1-yl)propanoate hydrochloride Openeye Name: benzyl 2-(3-amino-2-oxo-azepan-1-yl)propanoate hydrochloride CAS Name: 2-(3-amino-2-oxo-1-azepanyl)propanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 2-(3-amino-2-oxoazepan-1-yl)propanoate hydrochloride Traditional Name: 2-(3-amino-2-keto-azepan-1-yl)propionic acid benzyl ester hydrochloride Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC=CC=C1)N2CCCCC(C2=O)N.Cl

Isomeric SMILES

CC(C(=O)OCC1=CC=CC=C1)N2CCCCC(C2=O)N.Cl

InChI

InChI=1S/C16H22N2O3.ClH/c1-12(18-10-6-5-9-14(17)15(18)19)16(20)21-11-13-7-3-2-4-8-13;/h2-4,7-8,12,14H,5-6,9-11,17H2,1H3;1H