2-[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid CAS Name: 2-[3-[[(4-tert-butylphenyl)methylamino]-oxomethyl]phenyl]-1-cyclopentyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid Traditional Name: 2-[3-[(4-tert-butylbenzyl)carbamoyl]phenyl]-1-cyclopentyl-benzimidazole-5-carboxylic acid Formula: C31H33N3O3 MolecularWeight: 495.61202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C3=NC4=C(N3C5CCCC5)C=CC(=C4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C3=NC4=C(N3C5CCCC5)C=CC(=C4)C(=O)O

InChI

InChI=1S/C31H33N3O3/c1-31(2,3)24-14-11-20(12-15-24)19-32-29(35)22-8-6-7-21(17-22)28-33-26-18-23(30(36)37)13-16-27(26)34(28)25-9-4-5-10-25/h6-8,11-18,25H,4-5,9-10,19H2,1-3H3,(H,32,35)(H,36,37)