ethanedioic acid; 1-(3-naphthalen-2-yloxypropyl)azepane

Systemtic Name: ethanedioic acid; 1-(3-naphthalen-2-yloxypropyl)azepane Openeye Name: 1-[3-(2-naphthyloxy)propyl]azepane; oxalic acid CAS Name: 1-[3-(2-naphthalenyloxy)propyl]azepane; oxalic acid IUPAC Name: 1-(3-naphthalen-2-yloxypropyl)azepane; oxalic acid Traditional Name: 1-[3-(2-naphthoxy)propyl]azepane; oxalic acid Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCOC2=CC3=CC=CC=C3C=C2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCCOC2=CC3=CC=CC=C3C=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H25NO.C2H2O4/c1-2-6-13-20(12-5-1)14-7-15-21-19-11-10-17-8-3-4-9-18(17)16-19;3-1(4)2(5)6/h3-4,8-11,16H,1-2,5-7,12-15H2;(H,3,4)(H,5,6)