ethanedioic acid; 3-phenylbutane-1,3-diamine

Systemtic Name: ethanedioic acid; 3-phenylbutane-1,3-diamine Openeye Name: oxalic acid; 3-phenylbutane-1,3-diamine CAS Name: oxalic acid; 3-phenylbutane-1,3-diamine IUPAC Name: oxalic acid; 3-phenylbutane-1,3-diamine Traditional Name: (3-amino-1-methyl-1-phenyl-propyl)amine; oxalic acid Formula: C12H18N2O4 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N2.C2H2O4/c1-10(12,7-8-11)9-5-3-2-4-6-9;3-1(4)2(5)6/h2-6H,7-8,11-12H2,1H3;(H,3,4)(H,5,6)