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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCOC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCCOC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O

InChI

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