ethanedioic acid; 2-[2-oxidanyl-3-(propylamino)propoxy]-1-phenyl-ethanone

Systemtic Name: ethanedioic acid; 2-[2-oxidanyl-3-(propylamino)propoxy]-1-phenyl-ethanone Openeye Name: 2-[2-hydroxy-3-(propylamino)propoxy]-1-phenyl-ethanone; oxalic acid CAS Name: 2-[2-hydroxy-3-(propylamino)propoxy]-1-phenylethanone; oxalic acid IUPAC Name: 2-[2-hydroxy-3-(propylamino)propoxy]-1-phenylethanone; oxalic acid Traditional Name: 2-[2-hydroxy-3-(propylamino)propoxy]-1-phenyl-ethanone; oxalic acid Formula: C16H23NO7 MolecularWeight: 341.35632

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC(COCC(=O)C1=CC=CC=C1)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCNCC(COCC(=O)C1=CC=CC=C1)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21NO3.C2H2O4/c1-2-8-15-9-13(16)10-18-11-14(17)12-6-4-3-5-7-12;3-1(4)2(5)6/h3-7,13,15-16H,2,8-11H2,1H3;(H,3,4)(H,5,6)