(phenylmethyl) 4-azanyl-5-(5-cyano-2-prop-2-enoyloxy-phenoxy)pentanoate hydrochloride

Systemtic Name: (phenylmethyl) 4-azanyl-5-(5-cyano-2-prop-2-enoyloxy-phenoxy)pentanoate hydrochloride Openeye Name: benzyl 4-amino-5-(5-cyano-2-prop-2-enoyloxy-phenoxy)pentanoate hydrochloride CAS Name: 4-amino-5-[5-cyano-2-(1-oxoprop-2-enoxy)phenoxy]pentanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 4-amino-5-(5-cyano-2-prop-2-enoyloxyphenoxy)pentanoate hydrochloride Traditional Name: 5-(2-acryloyloxy-5-cyano-phenoxy)-4-amino-valeric acid benzyl ester hydrochloride Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OC1=C(C=C(C=C1)C#N)OCC(CCC(=O)OCC2=CC=CC=C2)N.Cl

Isomeric SMILES

C=CC(=O)OC1=C(C=C(C=C1)C#N)OCC(CCC(=O)OCC2=CC=CC=C2)N.Cl

InChI

InChI=1S/C22H22N2O5.ClH/c1-2-21(25)29-19-10-8-17(13-23)12-20(19)27-15-18(24)9-11-22(26)28-14-16-6-4-3-5-7-16;/h2-8,10,12,18H,1,9,11,14-15,24H2;1H