methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-naphthalen-2-yl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)propanoate

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-naphthalen-2-yl-5-oxidanylidene-1,2-dihydropyrazol-4-yl)propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-[3-(2-naphthyl)-5-oxo-1,2-dihydropyrazol-4-yl]propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[3-(2-naphthalenyl)-5-oxo-1,2-dihydropyrazol-4-yl]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-naphthalen-2-yl-5-oxo-1,2-dihydropyrazol-4-yl)propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-[3-keto-5-(2-naphthyl)-3-pyrazolin-4-yl]propionic acid methyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=C(NNC1=O)C2=CC3=CC=CC=C3C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=C(NNC1=O)C2=CC3=CC=CC=C3C=C2)C(=O)OC

InChI

InChI=1S/C22H25N3O5/c1-22(2,3)30-21(28)23-17(20(27)29-4)12-16-18(24-25-19(16)26)15-10-9-13-7-5-6-8-14(13)11-15/h5-11,17H,12H2,1-4H3,(H,23,28)(H2,24,25,26)/t17-/m0/s1