ethanedioic acid; ethyl 4-[3-(azepan-1-yl)propoxy]benzoate

Systemtic Name: ethanedioic acid; ethyl 4-[3-(azepan-1-yl)propoxy]benzoate Openeye Name: ethyl 4-[3-(azepan-1-yl)propoxy]benzoate; oxalic acid CAS Name: 4-[3-(1-azepanyl)propoxy]benzoic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[3-(azepan-1-yl)propoxy]benzoate; oxalic acid Traditional Name: 4-[3-(azepan-1-yl)propoxy]benzoic acid ethyl ester; oxalic acid Formula: C20H29NO7 MolecularWeight: 395.44676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCCCN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCCCN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27NO3.C2H2O4/c1-2-21-18(20)16-8-10-17(11-9-16)22-15-7-14-19-12-5-3-4-6-13-19;3-1(4)2(5)6/h8-11H,2-7,12-15H2,1H3;(H,3,4)(H,5,6)