5-[2-[4-[(3-chloranyl-4-methoxy-phenyl)-methyl-amino]butylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzamide

Systemtic Name: 5-[2-[4-[(3-chloranyl-4-methoxy-phenyl)-methyl-amino]butylamino]-1-oxidanyl-ethyl]-2-oxidanyl-benzamide Openeye Name: 5-[2-[4-(3-chloro-4-methoxy-N-methyl-anilino)butylamino]-1-hydroxy-ethyl]-2-hydroxy-benzamide CAS Name: 5-[2-[4-(3-chloro-4-methoxy-N-methylanilino)butylamino]-1-hydroxyethyl]-2-hydroxybenzamide IUPAC Name: 5-[2-[4-(3-chloro-4-methoxy-N-methylanilino)butylamino]-1-hydroxyethyl]-2-hydroxybenzamide Traditional Name: 5-[2-[4-(3-chloro-4-methoxy-N-methyl-anilino)butylamino]-1-hydroxy-ethyl]-2-hydroxy-benzamide Formula: C21H28ClN3O4 MolecularWeight: 421.91772

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCNCC(C1=CC(=C(C=C1)O)C(=O)N)O)C2=CC(=C(C=C2)OC)Cl

Isomeric SMILES

CN(CCCCNCC(C1=CC(=C(C=C1)O)C(=O)N)O)C2=CC(=C(C=C2)OC)Cl

InChI

InChI=1S/C21H28ClN3O4/c1-25(15-6-8-20(29-2)17(22)12-15)10-4-3-9-24-13-19(27)14-5-7-18(26)16(11-14)21(23)28/h5-8,11-12,19,24,26-27H,3-4,9-10,13H2,1-2H3,(H2,23,28)