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

Systemtic Name: propan-2-yl 1-[4-[(E)-3-quinolin-2-ylprop-2-enoyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: isopropyl 1-[4-[(E)-3-(2-quinolyl)prop-2-enoyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-[(E)-1-oxo-3-(2-quinolinyl)prop-2-enyl]phenyl]methyl]-4-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 1-[4-[(E)-3-quinolin-2-ylprop-2-enoyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(E)-3-(2-quinolyl)acryloyl]benzoyl]isonipecotic acid isopropyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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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=C4C=C3

Isomeric SMILES

CC(C)OC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C28H28N2O4/c1-19(2)34-28(33)23-15-17-30(18-16-23)27(32)22-9-7-21(8-10-22)26(31)14-13-24-12-11-20-5-3-4-6-25(20)29-24/h3-14,19,23H,15-18H2,1-2H3/b14-13+