methyl 4-[1-[1-(cyclopentylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]benzimidazol-2-yl]benzoate

Systemtic Name: methyl 4-[1-[1-(cyclopentylamino)-1-oxidanylidene-4-phenyl-butan-2-yl]benzimidazol-2-yl]benzoate Openeye Name: methyl 4-[1-[1-(cyclopentylcarbamoyl)-3-phenyl-propyl]benzimidazol-2-yl]benzoate CAS Name: 4-[1-[1-(cyclopentylamino)-1-oxo-4-phenylbutan-2-yl]-2-benzimidazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1-[1-(cyclopentylamino)-1-oxo-4-phenylbutan-2-yl]benzimidazol-2-yl]benzoate Traditional Name: 4-[1-[1-(cyclopentylcarbamoyl)-3-phenyl-propyl]benzimidazol-2-yl]benzoic acid methyl ester Formula: C30H31N3O3 MolecularWeight: 481.58544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2C(CCC4=CC=CC=C4)C(=O)NC5CCCC5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2C(CCC4=CC=CC=C4)C(=O)NC5CCCC5

InChI

InChI=1S/C30H31N3O3/c1-36-30(35)23-18-16-22(17-19-23)28-32-25-13-7-8-14-26(25)33(28)27(20-15-21-9-3-2-4-10-21)29(34)31-24-11-5-6-12-24/h2-4,7-10,13-14,16-19,24,27H,5-6,11-12,15,20H2,1H3,(H,31,34)