methyl 3-methoxy-4-[[6-(2-phenylbutanoylamino)benzimidazol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-methoxy-4-[[6-(2-phenylbutanoylamino)benzimidazol-1-yl]methyl]benzoate Openeye Name: methyl 3-methoxy-4-[[6-(2-phenylbutanoylamino)benzimidazol-1-yl]methyl]benzoate CAS Name: 3-methoxy-4-[[6-[(1-oxo-2-phenylbutyl)amino]-1-benzimidazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[[6-(2-phenylbutanoylamino)benzimidazol-1-yl]methyl]benzoate Traditional Name: 3-methoxy-4-[[6-(2-phenylbutanoylamino)benzimidazol-1-yl]methyl]benzoic acid methyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)N=CN3CC4=C(C=C(C=C4)C(=O)OC)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)N=CN3CC4=C(C=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C27H27N3O4/c1-4-22(18-8-6-5-7-9-18)26(31)29-21-12-13-23-24(15-21)30(17-28-23)16-20-11-10-19(27(32)34-3)14-25(20)33-2/h5-15,17,22H,4,16H2,1-3H3,(H,29,31)