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

Systemtic Name: 4-[[4-[(2R)-3-(benzimidazol-1-yl)-2-oxidanyl-propoxy]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(2R)-3-(benzimidazol-1-yl)-2-hydroxy-propoxy]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[(2R)-3-(1-benzimidazolyl)-2-hydroxypropoxy]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(2R)-3-(benzimidazol-1-yl)-2-hydroxypropoxy]anilino]-4-oxobutanoic acid Traditional Name: 4-[4-[(2R)-3-(benzimidazol-1-yl)-2-hydroxy-propoxy]anilino]-4-keto-butyric acid Formula: C20H21N3O5 MolecularWeight: 383.39784

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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)/t15-/m1/s1