(3-methylquinoxalin-2-yl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Openeye Name: (3-methylquinoxalin-2-yl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxylic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-phenylacryloyl]isonipecotic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)C3CCN(CC3)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)C3CCN(CC3)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3/c1-18-23(27-22-10-6-5-9-21(22)26-18)17-31-25(30)20-13-15-28(16-14-20)24(29)12-11-19-7-3-2-4-8-19/h2-12,20H,13-17H2,1H3/b12-11+