ethanedioic acid; 2-[4-(3-methyl-4-propan-2-yl-phenoxy)butylamino]ethanol

Systemtic Name: ethanedioic acid; 2-[4-(3-methyl-4-propan-2-yl-phenoxy)butylamino]ethanol Openeye Name: 2-[4-(4-isopropyl-3-methyl-phenoxy)butylamino]ethanol; oxalic acid CAS Name: 2-[4-(3-methyl-4-propan-2-ylphenoxy)butylamino]ethanol; oxalic acid IUPAC Name: 2-[4-(3-methyl-4-propan-2-ylphenoxy)butylamino]ethanol; oxalic acid Traditional Name: 2-[4-(4-isopropyl-3-methyl-phenoxy)butylamino]ethanol; oxalic acid Formula: C18H29NO6 MolecularWeight: 355.42596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27NO2.C2H2O4/c1-13(2)16-7-6-15(12-14(16)3)19-11-5-4-8-17-9-10-18;3-1(4)2(5)6/h6-7,12-13,17-18H,4-5,8-11H2,1-3H3;(H,3,4)(H,5,6)