3-chloranyl-4-[[cyclohexyl-(2-phenylindazol-3-yl)carbamoyl]amino]benzoic acid

Systemtic Name: 3-chloranyl-4-[[cyclohexyl-(2-phenylindazol-3-yl)carbamoyl]amino]benzoic acid Openeye Name: 3-chloro-4-[[cyclohexyl-(2-phenylindazol-3-yl)carbamoyl]amino]benzoic acid CAS Name: 3-chloro-4-[[[cyclohexyl-(2-phenyl-3-indazolyl)amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-chloro-4-[[cyclohexyl-(2-phenylindazol-3-yl)carbamoyl]amino]benzoic acid Traditional Name: 3-chloro-4-[[cyclohexyl-(2-phenylindazol-3-yl)carbamoyl]amino]benzoic acid Formula: C27H25ClN4O3 MolecularWeight: 488.9654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2=C3C=CC=CC3=NN2C4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)C(=O)O)Cl

Isomeric SMILES

C1CCC(CC1)N(C2=C3C=CC=CC3=NN2C4=CC=CC=C4)C(=O)NC5=C(C=C(C=C5)C(=O)O)Cl

InChI

InChI=1S/C27H25ClN4O3/c28-22-17-18(26(33)34)15-16-24(22)29-27(35)31(19-9-3-1-4-10-19)25-21-13-7-8-14-23(21)30-32(25)20-11-5-2-6-12-20/h2,5-8,11-17,19H,1,3-4,9-10H2,(H,29,35)(H,33,34)