ethanedioic acid; methyl 4-[4-(butan-2-ylamino)butoxy]benzoate

Systemtic Name: ethanedioic acid; methyl 4-[4-(butan-2-ylamino)butoxy]benzoate Openeye Name: methyl 4-[4-(sec-butylamino)butoxy]benzoate; oxalic acid CAS Name: 4-[4-(butan-2-ylamino)butoxy]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 4-[4-(butan-2-ylamino)butoxy]benzoate; oxalic acid Traditional Name: oxalic acid; 4-[4-(sec-butylamino)butoxy]benzoic acid methyl ester Formula: C18H27NO7 MolecularWeight: 369.40948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCCCCOC1=CC=C(C=C1)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(C)NCCCCOC1=CC=C(C=C1)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H25NO3.C2H2O4/c1-4-13(2)17-11-5-6-12-20-15-9-7-14(8-10-15)16(18)19-3;3-1(4)2(5)6/h7-10,13,17H,4-6,11-12H2,1-3H3;(H,3,4)(H,5,6)