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

Systemtic Name: [6-(2-phenylbutanoylamino)benzimidazol-1-yl]methyl 3-methoxy-2-methyl-benzoate Openeye Name: [6-(2-phenylbutanoylamino)benzimidazol-1-yl]methyl 3-methoxy-2-methyl-benzoate CAS Name: 3-methoxy-2-methylbenzoic acid [6-[(1-oxo-2-phenylbutyl)amino]-1-benzimidazolyl]methyl ester IUPAC Name: [6-(2-phenylbutanoylamino)benzimidazol-1-yl]methyl 3-methoxy-2-methylbenzoate Traditional Name: 3-methoxy-2-methyl-benzoic acid [6-(2-phenylbutanoylamino)benzimidazol-1-yl]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=CN3COC(=O)C4=C(C(=CC=C4)OC)C

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)N=CN3COC(=O)C4=C(C(=CC=C4)OC)C

InChI

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