(phenylmethyl) 5-[(Z)-2-azanyl-3-(4-cyanophenoxy)-3-oxidanylidene-prop-1-enoxy]pentanoate hydrochloride

Systemtic Name: (phenylmethyl) 5-[(Z)-2-azanyl-3-(4-cyanophenoxy)-3-oxidanylidene-prop-1-enoxy]pentanoate hydrochloride Openeye Name: benzyl 5-[(Z)-2-amino-3-(4-cyanophenoxy)-3-oxo-prop-1-enoxy]pentanoate hydrochloride CAS Name: 5-[(Z)-2-amino-3-(4-cyanophenoxy)-3-oxoprop-1-enoxy]pentanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 5-[(Z)-2-amino-3-(4-cyanophenoxy)-3-oxoprop-1-enoxy]pentanoate hydrochloride Traditional Name: 5-[(Z)-2-amino-3-(4-cyanophenoxy)-3-keto-prop-1-enoxy]valeric acid benzyl ester hydrochloride Formula: C22H23ClN2O5 MolecularWeight: 430.88142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCCCOC=C(C(=O)OC2=CC=C(C=C2)C#N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCCCO/C=C(/C(=O)OC2=CC=C(C=C2)C#N)\N.Cl

InChI

InChI=1S/C22H22N2O5.ClH/c23-14-17-9-11-19(12-10-17)29-22(26)20(24)16-27-13-5-4-8-21(25)28-15-18-6-2-1-3-7-18;/h1-3,6-7,9-12,16H,4-5,8,13,15,24H2;1H/b20-16-;