ethanedioic acid; methyl 4-[[2-(pentan-3-ylamino)ethanoylamino]methyl]benzoate

Systemtic Name: ethanedioic acid; methyl 4-[[2-(pentan-3-ylamino)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(1-ethylpropylamino)acetyl]amino]methyl]benzoate; oxalic acid CAS Name: oxalic acid; 4-[[[1-oxo-2-(pentan-3-ylamino)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(pentan-3-ylamino)acetyl]amino]methyl]benzoate; oxalic acid Traditional Name: 4-[[[2-(1-ethylpropylamino)acetyl]amino]methyl]benzoic acid methyl ester; oxalic acid Formula: C18H26N2O7 MolecularWeight: 382.40824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCC(=O)NCC1=CC=C(C=C1)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCC(CC)NCC(=O)NCC1=CC=C(C=C1)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H24N2O3.C2H2O4/c1-4-14(5-2)17-11-15(19)18-10-12-6-8-13(9-7-12)16(20)21-3;3-1(4)2(5)6/h6-9,14,17H,4-5,10-11H2,1-3H3,(H,18,19);(H,3,4)(H,5,6)