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4-[(4-tert-butylcyclohexyl)-[(4-chlorophenyl)carbamoylamino]methyl]benzoic acid

4-[(4-tert-butylcyclohexyl)-[(4-chlorophenyl)carbamoylamino]methyl]benzoic acid

Systemtic Name:4-[(4-tert-butylcyclohexyl)-[(4-chlorophenyl)carbamoylamino]methyl]benzoic acid
Openeye Name:4-[(4-tert-butylcyclohexyl)-[(4-chlorophenyl)carbamoylamino]methyl]benzoic acid
CAS Name:4-[(4-tert-butylcyclohexyl)-[[(4-chloroanilino)-oxomethyl]amino]methyl]benzoic acid
IUPAC Name:4-[(4-tert-butylcyclohexyl)-[(4-chlorophenyl)carbamoylamino]methyl]benzoic acid
Traditional Name:4-[(4-tert-butylcyclohexyl)-[(4-chlorophenyl)carbamoylamino]methyl]benzoic acid
Formula: C25H31ClN2O3
MolecularWeight: 442.97824
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)O)NC(=O)NC3=CC=C(C=C3)Cl


Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)O)NC(=O)NC3=CC=C(C=C3)Cl


InChI

InChI=1S/C25H31ClN2O3/c1-25(2,3)19-10-8-17(9-11-19)22(16-4-6-18(7-5-16)23(29)30)28-24(31)27-21-14-12-20(26)13-15-21/h4-7,12-15,17,19,22H,8-11H2,1-3H3,(H,29,30)(H2,27,28,31)


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