ethanedioic acid; 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-ethanol

Systemtic Name: ethanedioic acid; 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-ethanol Openeye Name: 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-phenyl-ethanol; oxalic acid CAS Name: 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-phenylethanol; oxalic acid IUPAC Name: 2-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-phenylethanol; oxalic acid Traditional Name: oxalic acid; 2-(4-p-anisyl-1,4-diazepan-1-yl)-1-phenyl-ethanol Formula: C23H30N2O6 MolecularWeight: 430.4941

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)CC(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)CC(C3=CC=CC=C3)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H28N2O2.C2H2O4/c1-25-20-10-8-18(9-11-20)16-22-12-5-13-23(15-14-22)17-21(24)19-6-3-2-4-7-19;3-1(4)2(5)6/h2-4,6-11,21,24H,5,12-17H2,1H3;(H,3,4)(H,5,6)