2,2-dimethylpropanoyloxymethyl 4-[[5-(4-carbamimidoylphenyl)-2-methoxy-phenyl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 4-[[5-(4-carbamimidoylphenyl)-2-methoxy-phenyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: 2,2-dimethylpropanoyloxymethyl 4-[[5-(4-carbamimidoylphenyl)-2-methoxy-benzoyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[5-(4-carbamimidoylphenyl)-2-methoxyphenyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 4-[[5-(4-carbamimidoylphenyl)-2-methoxybenzoyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[5-(4-amidinophenyl)-2-methoxy-benzoyl]amino]cyclohexanecarboxylic acid pivaloyloxymethyl ester Formula: C28H35N3O6 MolecularWeight: 509.594

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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=C(C=C3)C(=N)N)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H35N3O6/c1-28(2,3)27(34)37-16-36-26(33)19-9-12-21(13-10-19)31-25(32)22-15-20(11-14-23(22)35-4)17-5-7-18(8-6-17)24(29)30/h5-8,11,14-15,19,21H,9-10,12-13,16H2,1-4H3,(H3,29,30)(H,31,32)