2-[3-[bis[(3-chlorophenyl)methyl]carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[3-[bis[(3-chlorophenyl)methyl]carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[bis[(3-chlorophenyl)methyl]carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-[[bis[(3-chlorophenyl)methyl]amino]-oxomethyl]phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[bis[(3-chlorophenyl)methyl]carbamoyl]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[bis(3-chlorobenzyl)carbamoyl]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C35H31Cl2N3O3 MolecularWeight: 612.54494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)N(CC5=CC(=CC=C5)Cl)CC6=CC(=CC=C6)Cl

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC(=CC=C4)C(=O)N(CC5=CC(=CC=C5)Cl)CC6=CC(=CC=C6)Cl

InChI

InChI=1S/C35H31Cl2N3O3/c36-28-11-4-7-23(17-28)21-39(22-24-8-5-12-29(37)18-24)34(41)26-10-6-9-25(19-26)33-38-31-20-27(35(42)43)15-16-32(31)40(33)30-13-2-1-3-14-30/h4-12,15-20,30H,1-3,13-14,21-22H2,(H,42,43)