(2R)-N-(4-benzamidocyclohexyl)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide

Systemtic Name: (2R)-N-(4-benzamidocyclohexyl)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide Openeye Name: (2R)-N-(4-benzamidocyclohexyl)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide CAS Name: (2R)-N-(4-benzamidocyclohexyl)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-N-(4-benzamidocyclohexyl)-1-[(E)-3-phenylprop-2-enoyl]pyrrolidine-2-carboxamide Traditional Name: (2R)-N-(4-benzamidocyclohexyl)-1-[(E)-3-phenylacryloyl]pyrrolidine-2-carboxamide Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC2=CC=CC=C2)C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)/C=C/C2=CC=CC=C2)C(=O)NC3CCC(CC3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H31N3O3/c31-25(18-13-20-8-3-1-4-9-20)30-19-7-12-24(30)27(33)29-23-16-14-22(15-17-23)28-26(32)21-10-5-2-6-11-21/h1-6,8-11,13,18,22-24H,7,12,14-17,19H2,(H,28,32)(H,29,33)/b18-13+/t22?,23?,24-/m1/s1