methyl 2-[4-(3-oxidanylidene-3-phenylazanyl-propoxy)-1H-benzimidazol-2-yl]propanoate

Systemtic Name: methyl 2-[4-(3-oxidanylidene-3-phenylazanyl-propoxy)-1H-benzimidazol-2-yl]propanoate Openeye Name: methyl 2-[4-(3-anilino-3-oxo-propoxy)-1H-benzimidazol-2-yl]propanoate CAS Name: 2-[4-(3-anilino-3-oxopropoxy)-1H-benzimidazol-2-yl]propanoic acid methyl ester IUPAC Name: methyl 2-[4-(3-anilino-3-oxopropoxy)-1H-benzimidazol-2-yl]propanoate Traditional Name: 2-[4-(3-anilino-3-keto-propoxy)-1H-benzimidazol-2-yl]propionic acid methyl ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1)C=CC=C2OCCC(=O)NC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C1=NC2=C(N1)C=CC=C2OCCC(=O)NC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O4/c1-13(20(25)26-2)19-22-15-9-6-10-16(18(15)23-19)27-12-11-17(24)21-14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)