4-[[[6-(1-oxidanylbutan-2-yloxy)-1-propan-2-yl-benzimidazol-4-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[6-(1-oxidanylbutan-2-yloxy)-1-propan-2-yl-benzimidazol-4-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[6-[1-(hydroxymethyl)propoxy]-1-isopropyl-benzimidazol-4-yl]amino]methyl]benzoic acid CAS Name: 4-[[[6-(1-hydroxybutan-2-yloxy)-1-propan-2-yl-4-benzimidazolyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[6-(1-hydroxybutan-2-yloxy)-1-propan-2-ylbenzimidazol-4-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[1-isopropyl-6-(1-methylolpropoxy)benzimidazol-4-yl]amino]methyl]benzoic acid Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)OC1=CC(=C2C(=C1)N(C=N2)C(C)C)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC(CO)OC1=CC(=C2C(=C1)N(C=N2)C(C)C)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H27N3O4/c1-4-17(12-26)29-18-9-19(21-20(10-18)25(13-24-21)14(2)3)23-11-15-5-7-16(8-6-15)22(27)28/h5-10,13-14,17,23,26H,4,11-12H2,1-3H3,(H,27,28)