ethanedioic acid; 3-(4-phenylbutan-2-ylamino)propane-1,2-diol

Systemtic Name: ethanedioic acid; 3-(4-phenylbutan-2-ylamino)propane-1,2-diol Openeye Name: 3-[(1-methyl-3-phenyl-propyl)amino]propane-1,2-diol; oxalic acid CAS Name: oxalic acid; 3-(4-phenylbutan-2-ylamino)propane-1,2-diol IUPAC Name: oxalic acid; 3-(4-phenylbutan-2-ylamino)propane-1,2-diol Traditional Name: 3-[(1-methyl-3-phenyl-propyl)amino]propane-1,2-diol; oxalic acid Formula: C15H23NO6 MolecularWeight: 313.34622

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NCC(CO)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CCC1=CC=CC=C1)NCC(CO)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H21NO2.C2H2O4/c1-11(14-9-13(16)10-15)7-8-12-5-3-2-4-6-12;3-1(4)2(5)6/h2-6,11,13-16H,7-10H2,1H3;(H,3,4)(H,5,6)