(phenylmethyl) 3-azanyl-4-[3-(4-cyanophenoxy)-3-oxidanylidene-prop-1-en-2-yl]oxy-butanoate hydrochloride

Systemtic Name: (phenylmethyl) 3-azanyl-4-[3-(4-cyanophenoxy)-3-oxidanylidene-prop-1-en-2-yl]oxy-butanoate hydrochloride Openeye Name: benzyl 3-amino-4-[1-(4-cyanophenoxy)carbonylvinyloxy]butanoate hydrochloride CAS Name: 3-amino-4-[3-(4-cyanophenoxy)-3-oxoprop-1-en-2-yl]oxybutanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 3-amino-4-[3-(4-cyanophenoxy)-3-oxoprop-1-en-2-yl]oxybutanoate hydrochloride Traditional Name: 3-amino-4-[1-(4-cyanophenoxy)carbonylvinyloxy]butyric acid benzyl ester hydrochloride Formula: C21H21ClN2O5 MolecularWeight: 416.85484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5.ClH/c1-15(21(25)28-19-9-7-16(12-22)8-10-19)26-14-18(23)11-20(24)27-13-17-5-3-2-4-6-17;/h2-10,18H,1,11,13-14,23H2;1H