1-[3-(azepan-1-yl)propylamino]-3-(4-tert-butyl-2-methyl-phenoxy)propan-2-ol; ethanedioic acid

Systemtic Name: 1-[3-(azepan-1-yl)propylamino]-3-(4-tert-butyl-2-methyl-phenoxy)propan-2-ol; ethanedioic acid Openeye Name: 1-[3-(azepan-1-yl)propylamino]-3-(4-tert-butyl-2-methyl-phenoxy)propan-2-ol; oxalic acid CAS Name: 1-[3-(1-azepanyl)propylamino]-3-(4-tert-butyl-2-methylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[3-(azepan-1-yl)propylamino]-3-(4-tert-butyl-2-methylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-[3-(azepan-1-yl)propylamino]-3-(4-tert-butyl-2-methyl-phenoxy)propan-2-ol; oxalic acid Formula: C25H42N2O6 MolecularWeight: 466.61078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CNCCCN2CCCCCC2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CNCCCN2CCCCCC2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H40N2O2.C2H2O4/c1-19-16-20(23(2,3)4)10-11-22(19)27-18-21(26)17-24-12-9-15-25-13-7-5-6-8-14-25;3-1(4)2(5)6/h10-11,16,21,24,26H,5-9,12-15,17-18H2,1-4H3;(H,3,4)(H,5,6)