ethanedioic acid; methyl 4-[2-(azepan-1-yl)ethoxy]benzoate

Systemtic Name: ethanedioic acid; methyl 4-[2-(azepan-1-yl)ethoxy]benzoate Openeye Name: methyl 4-[2-(azepan-1-yl)ethoxy]benzoate; oxalic acid CAS Name: 4-[2-(1-azepanyl)ethoxy]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 4-[2-(azepan-1-yl)ethoxy]benzoate; oxalic acid Traditional Name: 4-[2-(azepan-1-yl)ethoxy]benzoic acid methyl ester; oxalic acid Formula: C18H25NO7 MolecularWeight: 367.3936

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23NO3.C2H2O4/c1-19-16(18)14-6-8-15(9-7-14)20-13-12-17-10-4-2-3-5-11-17;3-1(4)2(5)6/h6-9H,2-5,10-13H2,1H3;(H,3,4)(H,5,6)