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

Systemtic Name: [2-(3-cyclohexylpropanoylamino)-4-phenyl-butanoyl] 1,3-benzoxazole-6-carboxylate Openeye Name: [2-(3-cyclohexylpropanoylamino)-4-phenyl-butanoyl] 1,3-benzoxazole-6-carboxylate CAS Name: 1,3-benzoxazole-6-carboxylic acid [2-[(3-cyclohexyl-1-oxopropyl)amino]-1-oxo-4-phenylbutyl] ester IUPAC Name: [2-(3-cyclohexylpropanoylamino)-4-phenylbutanoyl] 1,3-benzoxazole-6-carboxylate Traditional Name: 1,3-benzoxazole-6-carboxylic acid [2-(3-cyclohexylpropanoylamino)-4-phenyl-butanoyl] ester Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(CCC2=CC=CC=C2)C(=O)OC(=O)C3=CC4=C(C=C3)N=CO4

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(CCC2=CC=CC=C2)C(=O)OC(=O)C3=CC4=C(C=C3)N=CO4

InChI

InChI=1S/C27H30N2O5/c30-25(16-12-20-9-5-2-6-10-20)29-23(14-11-19-7-3-1-4-8-19)27(32)34-26(31)21-13-15-22-24(17-21)33-18-28-22/h1,3-4,7-8,13,15,17-18,20,23H,2,5-6,9-12,14,16H2,(H,29,30)