methyl 4-[[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-4-oxo-butanoate CAS Name: 4-[[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-4-oxobutanoate Traditional Name: 4-[[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-4-keto-butyric acid methyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CCC(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C3=C(C=N2)C(CCC3)NC(=O)CCC(=O)OC

InChI

InChI=1S/C22H29N3O3/c1-22(2,3)15-8-10-16(11-9-15)25-19-7-5-6-18(17(19)14-23-25)24-20(26)12-13-21(27)28-4/h8-11,14,18H,5-7,12-13H2,1-4H3,(H,24,26)