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

Systemtic Name: 4-[[(3-chloranyl-4-methoxy-phenyl)methyl-(3-cyanophenyl)carbonyl-amino]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 4-[[(3-chloro-4-methoxy-phenyl)methyl-(3-cyanobenzoyl)amino]carbamoyl]cyclohexanecarboxylic acid CAS Name: 4-[[2-[(3-chloro-4-methoxyphenyl)methyl]-2-[(3-cyanophenyl)-oxomethyl]hydrazinyl]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[(3-chloro-4-methoxyphenyl)methyl-(3-cyanobenzoyl)amino]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 4-[[(3-chloro-4-methoxy-benzyl)-(3-cyanobenzoyl)amino]carbamoyl]cyclohexanecarboxylic acid Formula: C24H24ClN3O5 MolecularWeight: 469.91746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24ClN3O5/c1-33-21-10-5-16(12-20(21)25)14-28(23(30)19-4-2-3-15(11-19)13-26)27-22(29)17-6-8-18(9-7-17)24(31)32/h2-5,10-12,17-18H,6-9,14H2,1H3,(H,27,29)(H,31,32)