4-[[(3-chloranyl-4-methoxy-phenyl)methyl-(phenylcarbonyl)amino]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[(3-chloranyl-4-methoxy-phenyl)methyl-(phenylcarbonyl)amino]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[benzoyl-[(3-chloro-4-methoxy-phenyl)methyl]amino]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[2-benzoyl-2-[(3-chloro-4-methoxyphenyl)methyl]hydrazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[benzoyl-[(3-chloro-4-methoxyphenyl)methyl]amino]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[benzoyl-(3-chloro-4-methoxy-benzyl)amino]carbamoyl]cyclohexanecarboxylic acid Formula: C23H25ClN2O5 MolecularWeight: 444.908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C(=O)C2=CC=CC=C2)NC(=O)C3CCC(CC3)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C(=O)C2=CC=CC=C2)NC(=O)C3CCC(CC3)C(=O)O)Cl

InChI

InChI=1S/C23H25ClN2O5/c1-31-20-12-7-15(13-19(20)24)14-26(22(28)17-5-3-2-4-6-17)25-21(27)16-8-10-18(11-9-16)23(29)30/h2-7,12-13,16,18H,8-11,14H2,1H3,(H,25,27)(H,29,30)