(2S)-2-[[1-(3-methoxypropyl)-6-(4-methylphenoxy)benzimidazol-2-yl]methylamino]propanamide

Systemtic Name: (2S)-2-[[1-(3-methoxypropyl)-6-(4-methylphenoxy)benzimidazol-2-yl]methylamino]propanamide Openeye Name: (2S)-2-[[1-(3-methoxypropyl)-6-(4-methylphenoxy)benzimidazol-2-yl]methylamino]propanamide CAS Name: (2S)-2-[[1-(3-methoxypropyl)-6-(4-methylphenoxy)-2-benzimidazolyl]methylamino]propanamide IUPAC Name: (2S)-2-[[1-(3-methoxypropyl)-6-(4-methylphenoxy)benzimidazol-2-yl]methylamino]propanamide Traditional Name: (2S)-2-[[1-(3-methoxypropyl)-6-(4-methylphenoxy)benzimidazol-2-yl]methylamino]propionamide Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=CC3=C(C=C2)N=C(N3CCCOC)CNC(C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)OC2=CC3=C(C=C2)N=C(N3CCCOC)CN[C@@H](C)C(=O)N

InChI

InChI=1S/C22H28N4O3/c1-15-5-7-17(8-6-15)29-18-9-10-19-20(13-18)26(11-4-12-28-3)21(25-19)14-24-16(2)22(23)27/h5-10,13,16,24H,4,11-12,14H2,1-3H3,(H2,23,27)/t16-/m0/s1