2-[2,6-bis(3-chlorophenyl)-4-(dicyclohexylcarbamoyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2,6-bis(3-chlorophenyl)-4-(dicyclohexylcarbamoyl)phenoxy]ethanoic acid Openeye Name: 2-[2,6-bis(3-chlorophenyl)-4-(dicyclohexylcarbamoyl)phenoxy]acetic acid CAS Name: 2-[2,6-bis(3-chlorophenyl)-4-[(dicyclohexylamino)-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[2,6-bis(3-chlorophenyl)-4-(dicyclohexylcarbamoyl)phenoxy]acetic acid Traditional Name: 2-[2,6-bis(3-chlorophenyl)-4-(dicyclohexylcarbamoyl)phenoxy]acetic acid Formula: C33H35Cl2NO4 MolecularWeight: 580.5413

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCCCC2)C(=O)C3=CC(=C(C(=C3)C4=CC(=CC=C4)Cl)OCC(=O)O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)N(C2CCCCC2)C(=O)C3=CC(=C(C(=C3)C4=CC(=CC=C4)Cl)OCC(=O)O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C33H35Cl2NO4/c34-25-11-7-9-22(17-25)29-19-24(20-30(32(29)40-21-31(37)38)23-10-8-12-26(35)18-23)33(39)36(27-13-3-1-4-14-27)28-15-5-2-6-16-28/h7-12,17-20,27-28H,1-6,13-16,21H2,(H,37,38)