ethanedioic acid; 3-(2-oxidanylpropylamino)propyl 4-azanylbenzoate

Systemtic Name: ethanedioic acid; 3-(2-oxidanylpropylamino)propyl 4-azanylbenzoate Openeye Name: 3-(2-hydroxypropylamino)propyl 4-aminobenzoate; oxalic acid CAS Name: 4-aminobenzoic acid 3-(2-hydroxypropylamino)propyl ester; oxalic acid IUPAC Name: 3-(2-hydroxypropylamino)propyl 4-aminobenzoate; oxalic acid Traditional Name: 4-aminobenzoic acid 3-(2-hydroxypropylamino)propyl ester; oxalic acid Formula: C15H22N2O7 MolecularWeight: 342.34438

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNCCCOC(=O)C1=CC=C(C=C1)N)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CNCCCOC(=O)C1=CC=C(C=C1)N)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H20N2O3.C2H2O4/c1-10(16)9-15-7-2-8-18-13(17)11-3-5-12(14)6-4-11;3-1(4)2(5)6/h3-6,10,15-16H,2,7-9,14H2,1H3;(H,3,4)(H,5,6)