[4-[(1E,3E,5E)-5-piperidin-1-yliminopenta-1,3-dienyl]phenyl] 4-pentoxybenzoate

Systemtic Name: [4-[(1E,3E,5E)-5-piperidin-1-yliminopenta-1,3-dienyl]phenyl] 4-pentoxybenzoate Openeye Name: [4-[(1E,3E,5E)-5-(1-piperidylimino)penta-1,3-dienyl]phenyl] 4-pentoxybenzoate CAS Name: 4-pentoxybenzoic acid [4-[(1E,3E,5E)-5-(1-piperidinylimino)penta-1,3-dienyl]phenyl] ester IUPAC Name: [4-[(1E,3E,5E)-5-piperidin-1-yliminopenta-1,3-dienyl]phenyl] 4-pentoxybenzoate Traditional Name: 4-amoxybenzoic acid [4-[(1E,3E,5E)-5-piperidinoiminopenta-1,3-dienyl]phenyl] ester Formula: C28H34N2O3 MolecularWeight: 446.58116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=CC=CC=NN3CCCCC3

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)/C=C/C=C/C=N/N3CCCCC3

InChI

InChI=1S/C28H34N2O3/c1-2-3-10-23-32-26-18-14-25(15-19-26)28(31)33-27-16-12-24(13-17-27)11-6-4-7-20-29-30-21-8-5-9-22-30/h4,6-7,11-20H,2-3,5,8-10,21-23H2,1H3/b7-4+,11-6+,29-20+