[(2S)-1-[[4-[(2S)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 1H-indazole-3-carboxylate

Systemtic Name: [(2S)-1-[[4-[(2S)-butan-2-yl]phenyl]amino]-1-oxidanylidene-propan-2-yl] 1H-indazole-3-carboxylate Openeye Name: [(1S)-1-methyl-2-[4-[(1S)-1-methylpropyl]anilino]-2-oxo-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [(2S)-1-[4-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[4-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [(1S)-2-keto-1-methyl-2-[4-[(1S)-1-methylpropyl]anilino]ethyl] ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=NNC3=CC=CC=C32

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=NNC3=CC=CC=C32

InChI

InChI=1S/C21H23N3O3/c1-4-13(2)15-9-11-16(12-10-15)22-20(25)14(3)27-21(26)19-17-7-5-6-8-18(17)23-24-19/h5-14H,4H2,1-3H3,(H,22,25)(H,23,24)/t13-,14-/m0/s1