ethanedioic acid; 2-naphthalen-1-ylazepane

Systemtic Name: ethanedioic acid; 2-naphthalen-1-ylazepane Openeye Name: 2-(1-naphthyl)azepane; oxalic acid CAS Name: 2-(1-naphthalenyl)azepane; oxalic acid IUPAC Name: 2-naphthalen-1-ylazepane; oxalic acid Traditional Name: 2-(1-naphthyl)azepane; oxalic acid Formula: C18H21NO4 MolecularWeight: 315.36364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(NCC1)C2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(NCC1)C2=CC=CC3=CC=CC=C32.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19N.C2H2O4/c1-2-11-16(17-12-5-1)15-10-6-8-13-7-3-4-9-14(13)15;3-1(4)2(5)6/h3-4,6-10,16-17H,1-2,5,11-12H2;(H,3,4)(H,5,6)