2,2-dimethylpropanoyloxymethyl 4-[[2-methoxy-5-[2-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]phenyl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 4-[[2-methoxy-5-[2-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]phenyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 4-[[5-[2-[(E)-N'-benzyloxycarbonylcarbamimidoyl]phenyl]-2-methoxy-benzoyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[5-[2-[(E)-amino(phenylmethoxycarbonylimino)methyl]phenyl]-2-methoxyphenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 4-[[2-methoxy-5-[2-[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]phenyl]benzoyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[5-[2-[(E)-N'-carbobenzoxyamidino]phenyl]-2-methoxy-benzoyl]amino]cyclohexanecarboxylic acid pivaloyloxymethyl ester Formula: C36H41N3O8 MolecularWeight: 643.72604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC(=O)C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)C3=CC=CC=C3C(=NC(=O)OCC4=CC=CC=C4)N)OC

Isomeric SMILES

CC(C)(C)C(=O)OCOC(=O)C1CCC(CC1)NC(=O)C2=C(C=CC(=C2)C3=CC=CC=C3/C(=N\C(=O)OCC4=CC=CC=C4)/N)OC

InChI

InChI=1S/C36H41N3O8/c1-36(2,3)34(42)47-22-46-33(41)24-14-17-26(18-15-24)38-32(40)29-20-25(16-19-30(29)44-4)27-12-8-9-13-28(27)31(37)39-35(43)45-21-23-10-6-5-7-11-23/h5-13,16,19-20,24,26H,14-15,17-18,21-22H2,1-4H3,(H,38,40)(H2,37,39,43)