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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)O)C(=O)NC3=CC=C(C=C3)Cl

InChI

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