methyl 2-[(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)carbamoyl]benzoate

Systemtic Name: methyl 2-[(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)carbamoyl]benzoate Openeye Name: methyl 2-[(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)carbamoyl]benzoate CAS Name: 2-[oxo-[(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)carbamoyl]benzoate Traditional Name: 2-[(3,6,6-trimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)carbamoyl]benzoic acid methyl ester Formula: C25H27N3O3 MolecularWeight: 417.50018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(CC(C2)(C)C)NC(=O)C3=CC=CC=C3C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C(CC(C2)(C)C)NC(=O)C3=CC=CC=C3C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3/c1-16-22-20(26-23(29)18-12-8-9-13-19(18)24(30)31-4)14-25(2,3)15-21(22)28(27-16)17-10-6-5-7-11-17/h5-13,20H,14-15H2,1-4H3,(H,26,29)