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

Systemtic Name: methyl 2-[2-(3-cyclohexylpropanoylamino)-4-phenyl-butanoyl]-1,3-benzoxazole-6-carboxylate Openeye Name: methyl 2-[2-(3-cyclohexylpropanoylamino)-4-phenyl-butanoyl]-1,3-benzoxazole-6-carboxylate CAS Name: 2-[2-[(3-cyclohexyl-1-oxopropyl)amino]-1-oxo-4-phenylbutyl]-1,3-benzoxazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-cyclohexylpropanoylamino)-4-phenylbutanoyl]-1,3-benzoxazole-6-carboxylate Traditional Name: 2-[2-(3-cyclohexylpropanoylamino)-4-phenyl-butanoyl]-1,3-benzoxazole-6-carboxylic acid methyl ester Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(O2)C(=O)C(CCC3=CC=CC=C3)NC(=O)CCC4CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(O2)C(=O)C(CCC3=CC=CC=C3)NC(=O)CCC4CCCCC4

InChI

InChI=1S/C28H32N2O5/c1-34-28(33)21-14-16-22-24(18-21)35-27(30-22)26(32)23(15-12-19-8-4-2-5-9-19)29-25(31)17-13-20-10-6-3-7-11-20/h2,4-5,8-9,14,16,18,20,23H,3,6-7,10-13,15,17H2,1H3,(H,29,31)