methyl 2-[1-(3-cyclohexylpropanoylamino)-1-oxidanyl-4-phenyl-butyl]-1,3-benzoxazole-6-carboxylate

Systemtic Name: methyl 2-[1-(3-cyclohexylpropanoylamino)-1-oxidanyl-4-phenyl-butyl]-1,3-benzoxazole-6-carboxylate Openeye Name: methyl 2-[1-(3-cyclohexylpropanoylamino)-1-hydroxy-4-phenyl-butyl]-1,3-benzoxazole-6-carboxylate CAS Name: 2-[1-[(3-cyclohexyl-1-oxopropyl)amino]-1-hydroxy-4-phenylbutyl]-1,3-benzoxazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-(3-cyclohexylpropanoylamino)-1-hydroxy-4-phenylbutyl]-1,3-benzoxazole-6-carboxylate Traditional Name: 2-[1-(3-cyclohexylpropanoylamino)-1-hydroxy-4-phenyl-butyl]-1,3-benzoxazole-6-carboxylic acid methyl ester Formula: C28H34N2O5 MolecularWeight: 478.57996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(O2)C(CCCC3=CC=CC=C3)(NC(=O)CCC4CCCCC4)O

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(O2)C(CCCC3=CC=CC=C3)(NC(=O)CCC4CCCCC4)O

InChI

InChI=1S/C28H34N2O5/c1-34-26(32)22-15-16-23-24(19-22)35-27(29-23)28(33,18-8-13-20-9-4-2-5-10-20)30-25(31)17-14-21-11-6-3-7-12-21/h2,4-5,9-10,15-16,19,21,33H,3,6-8,11-14,17-18H2,1H3,(H,30,31)