hexanedioic acid; 3-[(4-methylphenyl)-(3-oxidanylpropyl)amino]propan-1-ol

Systemtic Name: hexanedioic acid; 3-[(4-methylphenyl)-(3-oxidanylpropyl)amino]propan-1-ol Openeye Name: adipic acid; 3-[N-(3-hydroxypropyl)-4-methyl-anilino]propan-1-ol CAS Name: hexanedioic acid; 3-[N-(3-hydroxypropyl)-4-methylanilino]-1-propanol IUPAC Name: hexanedioic acid; 3-[N-(3-hydroxypropyl)-4-methylanilino]propan-1-ol Traditional Name: adipic acid; 3-[N-(3-hydroxypropyl)-4-methyl-anilino]propan-1-ol Formula: C19H31NO6 MolecularWeight: 369.45254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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