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

Systemtic Name: (phenylmethyl) 5-[2-[(Z)-2-acetamido-3-methoxy-3-oxidanylidene-prop-1-enyl]-5-cyano-phenoxy]-4-[[3-(4-cyanophenyl)phenyl]carbonylamino]pentanoate Openeye Name: benzyl 5-[2-[(Z)-2-acetamido-3-methoxy-3-oxo-prop-1-enyl]-5-cyano-phenoxy]-4-[[3-(4-cyanophenyl)benzoyl]amino]pentanoate CAS Name: 5-[2-[(Z)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-5-cyanophenoxy]-4-[[[3-(4-cyanophenyl)phenyl]-oxomethyl]amino]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[2-[(Z)-2-acetamido-3-methoxy-3-oxoprop-1-enyl]-5-cyanophenoxy]-4-[[3-(4-cyanophenyl)benzoyl]amino]pentanoate Traditional Name: 5-[2-[(Z)-2-acetamido-3-keto-3-methoxy-prop-1-enyl]-5-cyano-phenoxy]-4-[[3-(4-cyanophenyl)benzoyl]amino]valeric acid benzyl ester Formula: C39H34N4O7 MolecularWeight: 670.70986

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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)NC(=O)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)C(=O)OC

Isomeric SMILES

CC(=O)N/C(=C\C1=C(C=C(C=C1)C#N)OCC(CCC(=O)OCC2=CC=CC=C2)NC(=O)C3=CC=CC(=C3)C4=CC=C(C=C4)C#N)/C(=O)OC

InChI

InChI=1S/C39H34N4O7/c1-26(44)42-35(39(47)48-2)21-32-16-13-29(23-41)19-36(32)49-25-34(17-18-37(45)50-24-28-7-4-3-5-8-28)43-38(46)33-10-6-9-31(20-33)30-14-11-27(22-40)12-15-30/h3-16,19-21,34H,17-18,24-25H2,1-2H3,(H,42,44)(H,43,46)/b35-21-