propan-2-yl 1-[4-[(E)-3-quinoxalin-2-ylprop-2-enoyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: propan-2-yl 1-[4-[(E)-3-quinoxalin-2-ylprop-2-enoyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: isopropyl 1-[4-[(E)-3-quinoxalin-2-ylprop-2-enoyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-[(E)-1-oxo-3-(2-quinoxalinyl)prop-2-enyl]phenyl]methyl]-4-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-[4-[(E)-3-quinoxalin-2-ylprop-2-enoyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(E)-3-quinoxalin-2-ylacryloyl]benzoyl]isonipecotic acid isopropyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)C=CC3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CC(C)OC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C27H27N3O4/c1-18(2)34-27(33)21-13-15-30(16-14-21)26(32)20-9-7-19(8-10-20)25(31)12-11-22-17-28-23-5-3-4-6-24(23)29-22/h3-12,17-18,21H,13-16H2,1-2H3/b12-11+