ethanedioic acid; 1-[3-(4-methyl-2-prop-2-enyl-phenoxy)propylamino]propan-2-ol

Systemtic Name: ethanedioic acid; 1-[3-(4-methyl-2-prop-2-enyl-phenoxy)propylamino]propan-2-ol Openeye Name: 1-[3-(2-allyl-4-methyl-phenoxy)propylamino]propan-2-ol; oxalic acid CAS Name: 1-[3-(4-methyl-2-prop-2-enylphenoxy)propylamino]-2-propanol; oxalic acid IUPAC Name: 1-[3-(4-methyl-2-prop-2-enylphenoxy)propylamino]propan-2-ol; oxalic acid Traditional Name: 1-[3-(2-allyl-4-methyl-phenoxy)propylamino]propan-2-ol; oxalic acid Formula: C18H27NO6 MolecularWeight: 353.41008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCNCC(C)O)CC=C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCNCC(C)O)CC=C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25NO2.C2H2O4/c1-4-6-15-11-13(2)7-8-16(15)19-10-5-9-17-12-14(3)18;3-1(4)2(5)6/h4,7-8,11,14,17-18H,1,5-6,9-10,12H2,2-3H3;(H,3,4)(H,5,6)