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

Systemtic Name: (phenylmethyl) (3R)-4-[2-[(Z)-2-acetamido-3-methoxy-3-oxidanylidene-prop-1-enyl]-5-cyano-phenoxy]-3-azanyl-butanoate Openeye Name: benzyl (3R)-4-[2-[(Z)-2-acetamido-3-methoxy-3-oxo-prop-1-enyl]-5-cyano-phenoxy]-3-amino-butanoate CAS Name: (3R)-4-[2-[(Z)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-5-cyanophenoxy]-3-aminobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-4-[2-[(Z)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-5-cyanophenoxy]-3-aminobutanoate Traditional Name: (3R)-4-[2-[(Z)-2-acetamido-3-keto-3-methoxy-prop-1-enyl]-5-cyano-phenoxy]-3-amino-butyric acid benzyl ester Formula: C24H25N3O6 MolecularWeight: 451.4718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N/C(=C\C1=C(C=C(C=C1)C#N)OC[C@@H](CC(=O)OCC2=CC=CC=C2)N)/C(=O)OC

InChI

InChI=1S/C24H25N3O6/c1-16(28)27-21(24(30)31-2)11-19-9-8-18(13-25)10-22(19)32-15-20(26)12-23(29)33-14-17-6-4-3-5-7-17/h3-11,20H,12,14-15,26H2,1-2H3,(H,27,28)/b21-11-/t20-/m1/s1