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

Systemtic Name: ethanedioic acid; methyl 4-[2-(azepan-1-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(azepan-1-yl)acetyl]amino]benzoate; oxalic acid CAS Name: 4-[[2-(1-azepanyl)-1-oxoethyl]amino]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 4-[[2-(azepan-1-yl)acetyl]amino]benzoate; oxalic acid Traditional Name: 4-[[2-(azepan-1-yl)acetyl]amino]benzoic acid methyl ester; oxalic acid Formula: C18H24N2O7 MolecularWeight: 380.39236

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCCCC2.C(=O)(C(=O)O)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCCCCC2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H22N2O3.C2H2O4/c1-21-16(20)13-6-8-14(9-7-13)17-15(19)12-18-10-4-2-3-5-11-18;3-1(4)2(5)6/h6-9H,2-5,10-12H2,1H3,(H,17,19);(H,3,4)(H,5,6)