N-[(2R)-2-benzamidocyclohexyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-3-carboxamide

Systemtic Name: N-[(2R)-2-benzamidocyclohexyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-3-carboxamide Openeye Name: N-[(2R)-2-benzamidocyclohexyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-3-carboxamide CAS Name: N-[(2R)-2-benzamidocyclohexyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-3-piperidinecarboxamide IUPAC Name: N-[(2R)-2-benzamidocyclohexyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-3-carboxamide Traditional Name: N-[(2R)-2-benzamidocyclohexyl]-1-[(E)-3-phenylacryloyl]nipecotamide Formula: C28H33N3O3 MolecularWeight: 459.57992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2CCCN(C2)C(=O)C=CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC([C@@H](C1)NC(=O)C2=CC=CC=C2)NC(=O)C3CCCN(C3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O3/c32-26(18-17-21-10-3-1-4-11-21)31-19-9-14-23(20-31)28(34)30-25-16-8-7-15-24(25)29-27(33)22-12-5-2-6-13-22/h1-6,10-13,17-18,23-25H,7-9,14-16,19-20H2,(H,29,33)(H,30,34)/b18-17+/t23?,24-,25?/m1/s1