2-(azepan-1-yl)-1-phenyl-ethanol; ethanedioic acid

Systemtic Name: 2-(azepan-1-yl)-1-phenyl-ethanol; ethanedioic acid Openeye Name: 2-(azepan-1-yl)-1-phenyl-ethanol; oxalic acid CAS Name: 2-(1-azepanyl)-1-phenylethanol; oxalic acid IUPAC Name: 2-(azepan-1-yl)-1-phenylethanol; oxalic acid Traditional Name: 2-(azepan-1-yl)-1-phenyl-ethanol; oxalic acid Formula: C16H23NO5 MolecularWeight: 309.35752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC(C2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CC(C2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21NO.C2H2O4/c16-14(13-8-4-3-5-9-13)12-15-10-6-1-2-7-11-15;3-1(4)2(5)6/h3-5,8-9,14,16H,1-2,6-7,10-12H2;(H,3,4)(H,5,6)