ethanedioic acid; 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-3-methyl-piperidine

Systemtic Name: ethanedioic acid; 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-3-methyl-piperidine Openeye Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-3-methyl-piperidine; oxalic acid CAS Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-3-methylpiperidine; oxalic acid IUPAC Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-3-methylpiperidine; oxalic acid Traditional Name: 1-[3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-3-methyl-piperidine; oxalic acid Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCCCN2CCCC(C2)C)OC.C(=O)(C(=O)O)O

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCCCN2CCCC(C2)C)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29NO2.C2H2O4/c1-4-7-17-9-10-18(19(14-17)21-3)22-13-6-12-20-11-5-8-16(2)15-20;3-1(4)2(5)6/h4,7,9-10,14,16H,5-6,8,11-13,15H2,1-3H3;(H,3,4)(H,5,6)/b7-4+;