ethanedioic acid; 1-(4-naphthalen-1-yloxybutyl)azepane

Systemtic Name: ethanedioic acid; 1-(4-naphthalen-1-yloxybutyl)azepane Openeye Name: 1-[4-(1-naphthyloxy)butyl]azepane; oxalic acid CAS Name: 1-[4-(1-naphthalenyloxy)butyl]azepane; oxalic acid IUPAC Name: 1-(4-naphthalen-1-yloxybutyl)azepane; oxalic acid Traditional Name: 1-[4-(1-naphthoxy)butyl]azepane; oxalic acid Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCCOC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)CCCCOC2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H27NO.C2H2O4/c1-2-6-15-21(14-5-1)16-7-8-17-22-20-13-9-11-18-10-3-4-12-19(18)20;3-1(4)2(5)6/h3-4,9-13H,1-2,5-8,14-17H2;(H,3,4)(H,5,6)