2-[2,6-bis(3-chlorophenyl)-4-(8-imidazol-1-yloctylcarbamoyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2,6-bis(3-chlorophenyl)-4-(8-imidazol-1-yloctylcarbamoyl)phenoxy]ethanoic acid Openeye Name: 2-[2,6-bis(3-chlorophenyl)-4-(8-imidazol-1-yloctylcarbamoyl)phenoxy]acetic acid CAS Name: 2-[2,6-bis(3-chlorophenyl)-4-[[8-(1-imidazolyl)octylamino]-oxomethyl]phenoxy]acetic acid IUPAC Name: 2-[2,6-bis(3-chlorophenyl)-4-(8-imidazol-1-yloctylcarbamoyl)phenoxy]acetic acid Traditional Name: 2-[2,6-bis(3-chlorophenyl)-4-(8-imidazol-1-yloctylcarbamoyl)phenoxy]acetic acid Formula: C32H33Cl2N3O4 MolecularWeight: 594.52812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=CC(=CC(=C2OCC(=O)O)C3=CC(=CC=C3)Cl)C(=O)NCCCCCCCCN4C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=CC(=CC(=C2OCC(=O)O)C3=CC(=CC=C3)Cl)C(=O)NCCCCCCCCN4C=CN=C4

InChI

InChI=1S/C32H33Cl2N3O4/c33-26-11-7-9-23(17-26)28-19-25(20-29(31(28)41-21-30(38)39)24-10-8-12-27(34)18-24)32(40)36-13-5-3-1-2-4-6-15-37-16-14-35-22-37/h7-12,14,16-20,22H,1-6,13,15,21H2,(H,36,40)(H,38,39)