1-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-1,4-diazepan-1-yl]ethanone; ethanedioic acid

Systemtic Name: 1-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-1,4-diazepan-1-yl]ethanone; ethanedioic acid Openeye Name: 1-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-1,4-diazepan-1-yl]ethanone; oxalic acid CAS Name: 1-[4-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1,4-diazepan-1-yl]ethanone; oxalic acid IUPAC Name: 1-[4-[3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-1,4-diazepan-1-yl]ethanone; oxalic acid Traditional Name: 1-[4-[3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-1,4-diazepan-1-yl]ethanone; oxalic acid Formula: C23H36N2O7 MolecularWeight: 452.54114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2CCCN(CC2)C(=O)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OCC(CN2CCCN(CC2)C(=O)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H34N2O3.C2H2O4/c1-16-13-18(21(3,4)5)7-8-20(16)26-15-19(25)14-22-9-6-10-23(12-11-22)17(2)24;3-1(4)2(5)6/h7-8,13,19,25H,6,9-12,14-15H2,1-5H3;(H,3,4)(H,5,6)