N,N'-bis(phenylmethyl)ethane-1,2-diamine; 2-(1-oxidanylpentyl)benzoic acid

Systemtic Name: N,N'-bis(phenylmethyl)ethane-1,2-diamine; 2-(1-oxidanylpentyl)benzoic acid Openeye Name: N,N'-dibenzylethane-1,2-diamine; 2-(1-hydroxypentyl)benzoic acid CAS Name: N,N'-bis(phenylmethyl)ethane-1,2-diamine; 2-(1-hydroxypentyl)benzoic acid IUPAC Name: N,N'-dibenzylethane-1,2-diamine; 2-(1-hydroxypentyl)benzoic acid Traditional Name: benzyl-[2-(benzylamino)ethyl]amine; 2-(1-hydroxypentyl)benzoic acid Formula: C28H36N2O3 MolecularWeight: 448.59704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=CC=C1C(=O)O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2

Isomeric SMILES

CCCCC(C1=CC=CC=C1C(=O)O)O.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2

InChI

InChI=1S/C16H20N2.C12H16O3/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;1-2-3-8-11(13)9-6-4-5-7-10(9)12(14)15/h1-10,17-18H,11-14H2;4-7,11,13H,2-3,8H2,1H3,(H,14,15)