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

Systemtic Name: methyl 2-[4-(3-oxidanylidene-3-phenylazanyl-propoxy)-1H-benzimidazol-2-yl]butanoate Openeye Name: methyl 2-[4-(3-anilino-3-oxo-propoxy)-1H-benzimidazol-2-yl]butanoate CAS Name: 2-[4-(3-anilino-3-oxopropoxy)-1H-benzimidazol-2-yl]butanoic acid methyl ester IUPAC Name: methyl 2-[4-(3-anilino-3-oxopropoxy)-1H-benzimidazol-2-yl]butanoate Traditional Name: 2-[4-(3-anilino-3-keto-propoxy)-1H-benzimidazol-2-yl]butyric acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-3-15(21(26)27-2)20-23-16-10-7-11-17(19(16)24-20)28-13-12-18(25)22-14-8-5-4-6-9-14/h4-11,15H,3,12-13H2,1-2H3,(H,22,25)(H,23,24)