2-[(2-ethyl-6-methyl-phenyl)methylcarbamoyl]-3-oxidanylidene-1-propyl-indazole-7-carboxylic acid

Systemtic Name: 2-[(2-ethyl-6-methyl-phenyl)methylcarbamoyl]-3-oxidanylidene-1-propyl-indazole-7-carboxylic acid Openeye Name: 2-[(2-ethyl-6-methyl-phenyl)methylcarbamoyl]-3-oxo-1-propyl-indazole-7-carboxylic acid CAS Name: 2-[[(2-ethyl-6-methylphenyl)methylamino]-oxomethyl]-3-oxo-1-propyl-7-indazolecarboxylic acid IUPAC Name: 2-[(2-ethyl-6-methylphenyl)methylcarbamoyl]-3-oxo-1-propylindazole-7-carboxylic acid Traditional Name: 2-[(2-ethyl-6-methyl-benzyl)carbamoyl]-3-keto-1-propyl-indazoline-7-carboxylic acid Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC=C2C(=O)O)C(=O)N1C(=O)NCC3=C(C=CC=C3CC)C

Isomeric SMILES

CCCN1C2=C(C=CC=C2C(=O)O)C(=O)N1C(=O)NCC3=C(C=CC=C3CC)C

InChI

InChI=1S/C22H25N3O4/c1-4-12-24-19-16(10-7-11-17(19)21(27)28)20(26)25(24)22(29)23-13-18-14(3)8-6-9-15(18)5-2/h6-11H,4-5,12-13H2,1-3H3,(H,23,29)(H,27,28)