5-[2-[5-[methyl-(4-methylphenyl)amino]pentylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzamide

Systemtic Name: 5-[2-[5-[methyl-(4-methylphenyl)amino]pentylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzamide Openeye Name: 5-[2-[5-(N,4-dimethylanilino)pentylamino]-1-hydroxy-ethyl]-2-hydroxy-benzamide CAS Name: 5-[2-[5-(N,4-dimethylanilino)pentylamino]-1-hydroxyethyl]-2-hydroxybenzamide IUPAC Name: 5-[2-[5-(N,4-dimethylanilino)pentylamino]-1-hydroxyethyl]-2-hydroxybenzamide Traditional Name: 5-[2-[5-(N,4-dimethylanilino)pentylamino]-1-hydroxy-ethyl]-2-hydroxy-benzamide Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C)CCCCCNCC(C2=CC(=C(C=C2)O)C(=O)N)O

Isomeric SMILES

CC1=CC=C(C=C1)N(C)CCCCCNCC(C2=CC(=C(C=C2)O)C(=O)N)O

InChI

InChI=1S/C22H31N3O3/c1-16-6-9-18(10-7-16)25(2)13-5-3-4-12-24-15-21(27)17-8-11-20(26)19(14-17)22(23)28/h6-11,14,21,24,26-27H,3-5,12-13,15H2,1-2H3,(H2,23,28)