1-cyclohexyl-2-[4-[(3-nitrophenyl)methylcarbamoyl]phenyl]benzimidazole-5-carboxylic acid

Systemtic Name: 1-cyclohexyl-2-[4-[(3-nitrophenyl)methylcarbamoyl]phenyl]benzimidazole-5-carboxylic acid Openeye Name: 1-cyclohexyl-2-[4-[(3-nitrophenyl)methylcarbamoyl]phenyl]benzimidazole-5-carboxylic acid CAS Name: 1-cyclohexyl-2-[4-[[(3-nitrophenyl)methylamino]-oxomethyl]phenyl]-5-benzimidazolecarboxylic acid IUPAC Name: 1-cyclohexyl-2-[4-[(3-nitrophenyl)methylcarbamoyl]phenyl]benzimidazole-5-carboxylic acid Traditional Name: 1-cyclohexyl-2-[4-[(3-nitrobenzyl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid Formula: C28H26N4O5 MolecularWeight: 498.52984

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)C(=O)NCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H26N4O5/c33-27(29-17-18-5-4-8-23(15-18)32(36)37)20-11-9-19(10-12-20)26-30-24-16-21(28(34)35)13-14-25(24)31(26)22-6-2-1-3-7-22/h4-5,8-16,22H,1-3,6-7,17H2,(H,29,33)(H,34,35)