N-[1-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]piperidin-4-yl]-3-methoxy-benzamide

Systemtic Name: N-[1-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]piperidin-4-yl]-3-methoxy-benzamide Openeye Name: N-[1-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoyl]-4-piperidyl]-3-methoxy-benzamide CAS Name: N-[1-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-1-oxoprop-2-enyl]-4-piperidinyl]-3-methoxybenzamide IUPAC Name: N-[1-[(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoyl]piperidin-4-yl]-3-methoxybenzamide Traditional Name: N-[1-[(E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acryloyl]-4-piperidyl]-3-methoxy-benzamide Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC2CCN(CC2)C(=O)C=CC3=CC(=C(C=C3)OCC#N)OC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC2CCN(CC2)C(=O)/C=C/C3=CC(=C(C=C3)OCC#N)OC

InChI

InChI=1S/C25H27N3O5/c1-31-21-5-3-4-19(17-21)25(30)27-20-10-13-28(14-11-20)24(29)9-7-18-6-8-22(33-15-12-26)23(16-18)32-2/h3-9,16-17,20H,10-11,13-15H2,1-2H3,(H,27,30)/b9-7+