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

Systemtic Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-oxidanylidene-5-phenyl-1,2-dihydropyrazol-4-yl)propanoate Openeye Name: methyl (2S)-2-(tert-butoxycarbonylamino)-3-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-oxo-5-phenyl-1,2-dihydropyrazol-4-yl)propanoate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(3-keto-5-phenyl-3-pyrazolin-4-yl)propionic acid methyl ester Formula: C18H23N3O5 MolecularWeight: 361.39232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O5/c1-18(2,3)26-17(24)19-13(16(23)25-4)10-12-14(20-21-15(12)22)11-8-6-5-7-9-11/h5-9,13H,10H2,1-4H3,(H,19,24)(H2,20,21,22)/t13-/m0/s1