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

Systemtic Name: 5-[[4-[(butan-2-ylamino)methyl]-2-methoxy-phenoxy]methyl]-1,3-dimethyl-benzimidazol-2-one hydrochloride Openeye Name: 5-[[2-methoxy-4-[(sec-butylamino)methyl]phenoxy]methyl]-1,3-dimethyl-benzimidazol-2-one hydrochloride CAS Name: 5-[[4-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethyl-2-benzimidazolone hydrochloride IUPAC Name: 5-[[4-[(butan-2-ylamino)methyl]-2-methoxyphenoxy]methyl]-1,3-dimethylbenzimidazol-2-one hydrochloride Traditional Name: 5-[[2-methoxy-4-[(sec-butylamino)methyl]phenoxy]methyl]-1,3-dimethyl-benzimidazol-2-one hydrochloride Formula: C22H30ClN3O3 MolecularWeight: 419.9449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3.ClH/c1-6-15(2)23-13-16-8-10-20(21(12-16)27-5)28-14-17-7-9-18-19(11-17)25(4)22(26)24(18)3;/h7-12,15,23H,6,13-14H2,1-5H3;1H