ethanedioic acid; 1-[3-(2-phenylphenoxy)propyl]azepane

Systemtic Name: ethanedioic acid; 1-[3-(2-phenylphenoxy)propyl]azepane Openeye Name: oxalic acid; 1-[3-(2-phenylphenoxy)propyl]azepane CAS Name: oxalic acid; 1-[3-(2-phenylphenoxy)propyl]azepane IUPAC Name: oxalic acid; 1-[3-(2-phenylphenoxy)propyl]azepane Traditional Name: oxalic acid; 1-[3-(2-phenylphenoxy)propyl]azepane Formula: C23H29NO5 MolecularWeight: 399.48006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCOC2=CC=CC=C2C3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCCOC2=CC=CC=C2C3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H27NO.C2H2O4/c1-2-9-16-22(15-8-1)17-10-18-23-21-14-7-6-13-20(21)19-11-4-3-5-12-19;3-1(4)2(5)6/h3-7,11-14H,1-2,8-10,15-18H2;(H,3,4)(H,5,6)