2,3-bis(oxidanyl)butanedioic acid; 2-(octan-2-ylamino)ethyl 4-azanylbenzoate

Systemtic Name: 2,3-bis(oxidanyl)butanedioic acid; 2-(octan-2-ylamino)ethyl 4-azanylbenzoate Openeye Name: 2,3-dihydroxybutanedioic acid; 2-(1-methylheptylamino)ethyl 4-aminobenzoate CAS Name: 4-aminobenzoic acid 2-(octan-2-ylamino)ethyl ester; 2,3-dihydroxybutanedioic acid IUPAC Name: 2,3-dihydroxybutanedioic acid; 2-(octan-2-ylamino)ethyl 4-aminobenzoate Traditional Name: 4-aminobenzoic acid 2-(1-methylheptylamino)ethyl ester; tartaric acid Formula: C21H34N2O8 MolecularWeight: 442.50326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NCCOC(=O)C1=CC=C(C=C1)N.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CCCCCCC(C)NCCOC(=O)C1=CC=C(C=C1)N.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C17H28N2O2.C4H6O6/c1-3-4-5-6-7-14(2)19-12-13-21-17(20)15-8-10-16(18)11-9-15;5-1(3(7)8)2(6)4(9)10/h8-11,14,19H,3-7,12-13,18H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)