3-[[1-[1-azanyl-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]benzimidazol-2-yl]amino]propanoic acid

Systemtic Name: 3-[[1-[1-azanyl-3-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]benzimidazol-2-yl]amino]propanoic acid Openeye Name: 3-[[1-[2-amino-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]benzimidazol-2-yl]amino]propanoic acid CAS Name: 3-[[1-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-2-benzimidazolyl]amino]propanoic acid IUPAC Name: 3-[[1-[1-amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]benzimidazol-2-yl]amino]propanoic acid Traditional Name: 3-[[1-(2-amino-2-keto-1-p-anisyl-ethyl)benzimidazol-2-yl]amino]propionic acid Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)N)N2C3=CC=CC=C3N=C2NCCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)N)N2C3=CC=CC=C3N=C2NCCC(=O)O

InChI

InChI=1S/C20H22N4O4/c1-28-14-8-6-13(7-9-14)12-17(19(21)27)24-16-5-3-2-4-15(16)23-20(24)22-11-10-18(25)26/h2-9,17H,10-12H2,1H3,(H2,21,27)(H,22,23)(H,25,26)