[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C26H26N2O3 MolecularWeight: 414.49624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C=CC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)/C=C/C3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C26H26N2O3/c29-24(28-16-13-21(14-17-28)18-20-6-2-1-3-7-20)19-31-25(30)12-11-23-9-4-8-22-10-5-15-27-26(22)23/h1-12,15,21H,13-14,16-19H2/b12-11+