2-[[4-[[2-butyl-6-[methylcarbamoyl(pentyl)amino]benzimidazol-1-yl]methyl]phenyl]carbamoyl]-3,6-bis(chloranyl)benzoic acid

Systemtic Name: 2-[[4-[[2-butyl-6-[methylcarbamoyl(pentyl)amino]benzimidazol-1-yl]methyl]phenyl]carbamoyl]-3,6-bis(chloranyl)benzoic acid Openeye Name: 2-[[4-[[2-butyl-6-[methylcarbamoyl(pentyl)amino]benzimidazol-1-yl]methyl]phenyl]carbamoyl]-3,6-dichloro-benzoic acid CAS Name: 2-[[4-[[2-butyl-6-[methylcarbamoyl(pentyl)amino]-1-benzimidazolyl]methyl]anilino]-oxomethyl]-3,6-dichlorobenzoic acid IUPAC Name: 2-[[4-[[2-butyl-6-[methylcarbamoyl(pentyl)amino]benzimidazol-1-yl]methyl]phenyl]carbamoyl]-3,6-dichlorobenzoic acid Traditional Name: 2-[[4-[[6-[amyl(methylcarbamoyl)amino]-2-butyl-benzimidazol-1-yl]methyl]phenyl]carbamoyl]-3,6-dichloro-benzoic acid Formula: C33H37Cl2N5O4 MolecularWeight: 638.58398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=CC2=C(C=C1)N=C(N2CC3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4C(=O)O)Cl)Cl)CCCC)C(=O)NC

Isomeric SMILES

CCCCCN(C1=CC2=C(C=C1)N=C(N2CC3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4C(=O)O)Cl)Cl)CCCC)C(=O)NC

InChI

InChI=1S/C33H37Cl2N5O4/c1-4-6-8-18-39(33(44)36-3)23-14-17-26-27(19-23)40(28(38-26)9-7-5-2)20-21-10-12-22(13-11-21)37-31(41)29-24(34)15-16-25(35)30(29)32(42)43/h10-17,19H,4-9,18,20H2,1-3H3,(H,36,44)(H,37,41)(H,42,43)