ethanedioic acid; 4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol

Systemtic Name: ethanedioic acid; 4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol Openeye Name: oxalic acid; 4-[4-[3-(1-piperidyl)propoxy]phenyl]hepta-1,6-dien-4-ol CAS Name: oxalic acid; 4-[4-[3-(1-piperidinyl)propoxy]phenyl]-4-hepta-1,6-dienol IUPAC Name: oxalic acid; 4-[4-(3-piperidin-1-ylpropoxy)phenyl]hepta-1,6-dien-4-ol Traditional Name: oxalic acid; 4-[4-(3-piperidinopropoxy)phenyl]hepta-1,6-dien-4-ol Formula: C23H33NO6 MolecularWeight: 419.51122

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC=C)(C1=CC=C(C=C1)OCCCN2CCCCC2)O.C(=O)(C(=O)O)O

Isomeric SMILES

C=CCC(CC=C)(C1=CC=C(C=C1)OCCCN2CCCCC2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H31NO2.C2H2O4/c1-3-13-21(23,14-4-2)19-9-11-20(12-10-19)24-18-8-17-22-15-6-5-7-16-22;3-1(4)2(5)6/h3-4,9-12,23H,1-2,5-8,13-18H2;(H,3,4)(H,5,6)