4-[4-[2-[[3-(2-azanyl-3-methyl-phenoxy)-2-oxidanyl-propyl]amino]-2-methyl-propyl]phenoxy]benzamide

Systemtic Name: 4-[4-[2-[[3-(2-azanyl-3-methyl-phenoxy)-2-oxidanyl-propyl]amino]-2-methyl-propyl]phenoxy]benzamide Openeye Name: 4-[4-[2-[[3-(2-amino-3-methyl-phenoxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]phenoxy]benzamide CAS Name: 4-[4-[2-[[3-(2-amino-3-methylphenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide IUPAC Name: 4-[4-[2-[[3-(2-amino-3-methylphenoxy)-2-hydroxypropyl]amino]-2-methylpropyl]phenoxy]benzamide Traditional Name: 4-[4-[2-[[3-(2-amino-3-methyl-phenoxy)-2-hydroxy-propyl]amino]-2-methyl-propyl]phenoxy]benzamide Formula: C27H33N3O4 MolecularWeight: 463.56862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(CNC(C)(C)CC2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)N)O)N

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(CNC(C)(C)CC2=CC=C(C=C2)OC3=CC=C(C=C3)C(=O)N)O)N

InChI

InChI=1S/C27H33N3O4/c1-18-5-4-6-24(25(18)28)33-17-21(31)16-30-27(2,3)15-19-7-11-22(12-8-19)34-23-13-9-20(10-14-23)26(29)32/h4-14,21,30-31H,15-17,28H2,1-3H3,(H2,29,32)