methyl 5-[[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: methyl 5-[[(4S)-6,6-dimethyl-1-(p-tolyl)-5,7-dihydro-4H-indazol-4-yl]amino]-5-oxo-pentanoate CAS Name: 5-[[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[(4S)-6,6-dimethyl-1-(4-methylphenyl)-5,7-dihydro-4H-indazol-4-yl]amino]-5-oxopentanoate Traditional Name: 5-[[(4S)-6,6-dimethyl-1-(p-tolyl)-5,7-dihydro-4H-indazol-4-yl]amino]-5-keto-valeric acid methyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(CC(C3)(C)C)NC(=O)CCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)[C@H](CC(C3)(C)C)NC(=O)CCCC(=O)OC

InChI

InChI=1S/C22H29N3O3/c1-15-8-10-16(11-9-15)25-19-13-22(2,3)12-18(17(19)14-23-25)24-20(26)6-5-7-21(27)28-4/h8-11,14,18H,5-7,12-13H2,1-4H3,(H,24,26)/t18-/m0/s1