ethanedioic acid; 1-[3-(3-methyl-5-propan-2-yl-phenoxy)propylamino]propan-2-ol

Systemtic Name: ethanedioic acid; 1-[3-(3-methyl-5-propan-2-yl-phenoxy)propylamino]propan-2-ol Openeye Name: 1-[3-(3-isopropyl-5-methyl-phenoxy)propylamino]propan-2-ol; oxalic acid CAS Name: 1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]-2-propanol; oxalic acid IUPAC Name: 1-[3-(3-methyl-5-propan-2-ylphenoxy)propylamino]propan-2-ol; oxalic acid Traditional Name: 1-[3-(3-isopropyl-5-methyl-phenoxy)propylamino]propan-2-ol; oxalic acid Formula: C18H29NO6 MolecularWeight: 355.42596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2.C2H2O4/c1-12(2)15-8-13(3)9-16(10-15)19-7-5-6-17-11-14(4)18;3-1(4)2(5)6/h8-10,12,14,17-18H,5-7,11H2,1-4H3;(H,3,4)(H,5,6)