hexanedioic acid; 1-phenylpropan-2-amine

Systemtic Name: hexanedioic acid; 1-phenylpropan-2-amine Openeye Name: adipic acid; 1-phenylpropan-2-amine CAS Name: hexanedioic acid; 1-phenyl-2-propanamine IUPAC Name: hexanedioic acid; 1-phenylpropan-2-amine Traditional Name: adipic acid; (1-methyl-2-phenyl-ethyl)amine Formula: C15H23NO4 MolecularWeight: 281.34742

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)N.C(CCC(=O)O)CC(=O)O

Isomeric SMILES

CC(CC1=CC=CC=C1)N.C(CCC(=O)O)CC(=O)O

InChI

InChI=1S/C9H13N.C6H10O4/c1-8(10)7-9-5-3-2-4-6-9;7-5(8)3-1-2-4-6(9)10/h2-6,8H,7,10H2,1H3;1-4H2,(H,7,8)(H,9,10)