hexanedioic acid; 1-[(4-methylphenyl)-(2-oxidanylpropyl)amino]propan-2-ol

Systemtic Name: hexanedioic acid; 1-[(4-methylphenyl)-(2-oxidanylpropyl)amino]propan-2-ol Openeye Name: adipic acid; 1-[N-(2-hydroxypropyl)-4-methyl-anilino]propan-2-ol CAS Name: hexanedioic acid; 1-[N-(2-hydroxypropyl)-4-methylanilino]-2-propanol IUPAC Name: hexanedioic acid; 1-[N-(2-hydroxypropyl)-4-methylanilino]propan-2-ol Traditional Name: adipic acid; 1-[N-(2-hydroxypropyl)-4-methyl-anilino]propan-2-ol Formula: C19H31NO6 MolecularWeight: 369.45254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO2.C6H10O4/c1-10-4-6-13(7-5-10)14(8-11(2)15)9-12(3)16;7-5(8)3-1-2-4-6(9)10/h4-7,11-12,15-16H,8-9H2,1-3H3;1-4H2,(H,7,8)(H,9,10)