ethanedioic acid; 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol

Systemtic Name: ethanedioic acid; 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol Openeye Name: 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-(3-methyl-1-piperidyl)propan-2-ol; oxalic acid CAS Name: 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-(3-methyl-1-piperidinyl)-2-propanol; oxalic acid IUPAC Name: 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-(3-methylpiperidin-1-yl)propan-2-ol; oxalic acid Traditional Name: 1-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-3-(3-methylpiperidino)propan-2-ol; oxalic acid Formula: C21H31NO7 MolecularWeight: 409.47334

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=CC(=C(C=C1)OCC(CN2CCCC(C2)C)O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

C/C=C/C1=CC(=C(C=C1)OCC(CN2CCCC(C2)C)O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29NO3.C2H2O4/c1-4-6-16-8-9-18(19(11-16)22-3)23-14-17(21)13-20-10-5-7-15(2)12-20;3-1(4)2(5)6/h4,6,8-9,11,15,17,21H,5,7,10,12-14H2,1-3H3;(H,3,4)(H,5,6)/b6-4+;