2-[[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]-N-phenethyl-benzamide

Systemtic Name: 2-[[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]-N-phenethyl-benzamide Openeye Name: 2-[[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]amino]-N-phenethyl-benzamide CAS Name: 2-[[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-1-oxoprop-2-enyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]amino]-N-phenethylbenzamide Traditional Name: 2-[[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acryloyl]amino]-N-phenethyl-benzamide Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)NCCC3=CC=CC=C3)OCC#N

InChI

InChI=1S/C27H25N3O4/c1-33-25-19-21(11-13-24(25)34-18-16-28)12-14-26(31)30-23-10-6-5-9-22(23)27(32)29-17-15-20-7-3-2-4-8-20/h2-14,19H,15,17-18H2,1H3,(H,29,32)(H,30,31)/b14-12+