2-chloranyl-4-[[1-(oxan-2-yl)indazol-4-yl]methylcarbamoyl]benzoic acid

Systemtic Name: 2-chloranyl-4-[[1-(oxan-2-yl)indazol-4-yl]methylcarbamoyl]benzoic acid Openeye Name: 2-chloro-4-[(1-tetrahydropyran-2-ylindazol-4-yl)methylcarbamoyl]benzoic acid CAS Name: 2-chloro-4-[[[1-(2-oxanyl)-4-indazolyl]methylamino]-oxomethyl]benzoic acid IUPAC Name: 2-chloro-4-[[1-(oxan-2-yl)indazol-4-yl]methylcarbamoyl]benzoic acid Traditional Name: 2-chloro-4-[(1-tetrahydropyran-2-ylindazol-4-yl)methylcarbamoyl]benzoic acid Formula: C21H20ClN3O4 MolecularWeight: 413.8542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)N2C3=CC=CC(=C3C=N2)CNC(=O)C4=CC(=C(C=C4)C(=O)O)Cl

Isomeric SMILES

C1CCOC(C1)N2C3=CC=CC(=C3C=N2)CNC(=O)C4=CC(=C(C=C4)C(=O)O)Cl

InChI

InChI=1S/C21H20ClN3O4/c22-17-10-13(7-8-15(17)21(27)28)20(26)23-11-14-4-3-5-18-16(14)12-24-25(18)19-6-1-2-9-29-19/h3-5,7-8,10,12,19H,1-2,6,9,11H2,(H,23,26)(H,27,28)