4-[[4-[(2R)-3-(benzimidazol-1-yl)-2-oxidanyl-propoxy]phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-[(2R)-3-(benzimidazol-1-yl)-2-oxidanyl-propoxy]phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[4-[(2R)-3-(benzimidazol-1-yl)-2-hydroxy-propoxy]anilino]-4-oxo-butanoate CAS Name: 4-[4-[(2R)-3-(1-benzimidazolyl)-2-hydroxypropoxy]anilino]-4-oxobutanoate IUPAC Name: 4-[4-[(2R)-3-(benzimidazol-1-yl)-2-hydroxypropoxy]anilino]-4-oxobutanoate Traditional Name: 4-[4-[(2R)-3-(benzimidazol-1-yl)-2-hydroxy-propoxy]anilino]-4-keto-butyrate Formula: C20H20N3O5- MolecularWeight: 382.3899

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=CN2CC(COC3=CC=C(C=C3)NC(=O)CCC(=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)N=CN2C[C@H](COC3=CC=C(C=C3)NC(=O)CCC(=O)[O-])O

InChI

InChI=1S/C20H21N3O5/c24-15(11-23-13-21-17-3-1-2-4-18(17)23)12-28-16-7-5-14(6-8-16)22-19(25)9-10-20(26)27/h1-8,13,15,24H,9-12H2,(H,22,25)(H,26,27)/p-1/t15-/m1/s1