N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C23H25ClN2O4 MolecularWeight: 428.9086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)C(=O)C=CC3=CC=CC=C3)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3)OC)Cl

InChI

InChI=1S/C23H25ClN2O4/c1-29-20-15-19(21(30-2)14-18(20)24)25-23(28)17-10-12-26(13-11-17)22(27)9-8-16-6-4-3-5-7-16/h3-9,14-15,17H,10-13H2,1-2H3,(H,25,28)/b9-8+