5-[[2-methoxy-4-[(1-oxidanylbutan-2-ylamino)methyl]phenoxy]methyl]-1,3-dimethyl-benzimidazol-2-one

Systemtic Name: 5-[[2-methoxy-4-[(1-oxidanylbutan-2-ylamino)methyl]phenoxy]methyl]-1,3-dimethyl-benzimidazol-2-one Openeye Name: 5-[[4-[[1-(hydroxymethyl)propylamino]methyl]-2-methoxy-phenoxy]methyl]-1,3-dimethyl-benzimidazol-2-one CAS Name: 5-[[4-[(1-hydroxybutan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethyl-2-benzimidazolone IUPAC Name: 5-[[4-[(1-hydroxybutan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one Traditional Name: 5-[[2-methoxy-4-[(1-methylolpropylamino)methyl]phenoxy]methyl]-1,3-dimethyl-benzimidazol-2-one Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)NCC1=CC(=C(C=C1)OCC2=CC3=C(C=C2)N(C(=O)N3C)C)OC

Isomeric SMILES

CCC(CO)NCC1=CC(=C(C=C1)OCC2=CC3=C(C=C2)N(C(=O)N3C)C)OC

InChI

InChI=1S/C22H29N3O4/c1-5-17(13-26)23-12-15-7-9-20(21(11-15)28-4)29-14-16-6-8-18-19(10-16)25(3)22(27)24(18)2/h6-11,17,23,26H,5,12-14H2,1-4H3