methyl 4-methyl-3-[3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[3-(2-oxidanylidene-3-propyl-benzimidazol-1-yl)propanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[3-(2-oxo-3-propyl-benzimidazol-1-yl)propanoylamino]benzoate CAS Name: 4-methyl-3-[[1-oxo-3-(2-oxo-3-propyl-1-benzimidazolyl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]benzoate Traditional Name: 3-[3-(2-keto-3-propyl-benzimidazol-1-yl)propanoylamino]-4-methyl-benzoic acid methyl ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)CCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C

InChI

InChI=1S/C22H25N3O4/c1-4-12-24-18-7-5-6-8-19(18)25(22(24)28)13-11-20(26)23-17-14-16(21(27)29-3)10-9-15(17)2/h5-10,14H,4,11-13H2,1-3H3,(H,23,26)