(phenylmethyl) 5-[2-[(Z)-2-acetamido-3-methoxy-3-oxidanylidene-prop-1-enyl]-5-cyano-phenoxy]-4-azanyl-pentanoate hydrochloride

Systemtic Name: (phenylmethyl) 5-[2-[(Z)-2-acetamido-3-methoxy-3-oxidanylidene-prop-1-enyl]-5-cyano-phenoxy]-4-azanyl-pentanoate hydrochloride Openeye Name: benzyl 5-[2-[(Z)-2-acetamido-3-methoxy-3-oxo-prop-1-enyl]-5-cyano-phenoxy]-4-amino-pentanoate hydrochloride CAS Name: 5-[2-[(Z)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-5-cyanophenoxy]-4-aminopentanoic acid (phenylmethyl) ester hydrochloride IUPAC Name: benzyl 5-[2-[(Z)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-5-cyanophenoxy]-4-aminopentanoate hydrochloride Traditional Name: 5-[2-[(Z)-2-acetamido-3-keto-3-methoxy-prop-1-enyl]-5-cyano-phenoxy]-4-amino-valeric acid benzyl ester hydrochloride Formula: C25H28ClN3O6 MolecularWeight: 501.95932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=C(C=C(C=C1)C#N)OCC(CCC(=O)OCC2=CC=CC=C2)N)C(=O)OC.Cl

Isomeric SMILES

CC(=O)N/C(=C\C1=C(C=C(C=C1)C#N)OCC(CCC(=O)OCC2=CC=CC=C2)N)/C(=O)OC.Cl

InChI

InChI=1S/C25H27N3O6.ClH/c1-17(29)28-22(25(31)32-2)13-20-9-8-19(14-26)12-23(20)33-16-21(27)10-11-24(30)34-15-18-6-4-3-5-7-18;/h3-9,12-13,21H,10-11,15-16,27H2,1-2H3,(H,28,29);1H/b22-13-;