methyl 5-[(2S)-3-ethoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]-1-(6-phenylpyridazin-3-yl)pyrazole-4-carboxylate

Systemtic Name: methyl 5-[(2S)-3-ethoxy-3-oxidanylidene-2-(phenylmethoxycarbonylamino)propyl]-1-(6-phenylpyridazin-3-yl)pyrazole-4-carboxylate Openeye Name: methyl 5-[(2S)-2-(benzyloxycarbonylamino)-3-ethoxy-3-oxo-propyl]-1-(6-phenylpyridazin-3-yl)pyrazole-4-carboxylate CAS Name: 5-[(2S)-3-ethoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1-(6-phenyl-3-pyridazinyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-3-ethoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]-1-(6-phenylpyridazin-3-yl)pyrazole-4-carboxylate Traditional Name: 5-[(2S)-2-(benzyloxycarbonylamino)-3-ethoxy-3-keto-propyl]-1-(6-phenylpyridazin-3-yl)pyrazole-4-carboxylic acid methyl ester Formula: C28H27N5O6 MolecularWeight: 529.54388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=NN1C2=NN=C(C=C2)C3=CC=CC=C3)C(=O)OC)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)[C@H](CC1=C(C=NN1C2=NN=C(C=C2)C3=CC=CC=C3)C(=O)OC)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H27N5O6/c1-3-38-27(35)23(30-28(36)39-18-19-10-6-4-7-11-19)16-24-21(26(34)37-2)17-29-33(24)25-15-14-22(31-32-25)20-12-8-5-9-13-20/h4-15,17,23H,3,16,18H2,1-2H3,(H,30,36)/t23-/m0/s1