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

Systemtic Name: (phenylmethyl) 5-[(Z)-2-azanyl-3-(4-cyanophenoxy)-3-oxidanylidene-prop-1-enoxy]pentanoate Openeye Name: benzyl 5-[(Z)-2-amino-3-(4-cyanophenoxy)-3-oxo-prop-1-enoxy]pentanoate CAS Name: 5-[(Z)-2-amino-3-(4-cyanophenoxy)-3-oxoprop-1-enoxy]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[(Z)-2-amino-3-(4-cyanophenoxy)-3-oxoprop-1-enoxy]pentanoate Traditional Name: 5-[(Z)-2-amino-3-(4-cyanophenoxy)-3-keto-prop-1-enoxy]valeric acid benzyl ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5/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/b20-16-