(phenylmethyl) 2-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)carbonylamino]-3-phenylmethoxy-butanoate

Systemtic Name: (phenylmethyl) 2-[(3-oxidanylidene-2-phenyl-1H-pyrazol-5-yl)carbonylamino]-3-phenylmethoxy-butanoate Openeye Name: benzyl 3-benzyloxy-2-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]butanoate CAS Name: 2-[[oxo-(3-oxo-2-phenyl-1H-pyrazol-5-yl)methyl]amino]-3-phenylmethoxybutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]-3-phenylmethoxybutanoate Traditional Name: 3-benzoxy-2-[(5-keto-1-phenyl-3-pyrazoline-3-carbonyl)amino]butyric acid benzyl ester Formula: C28H27N3O5 MolecularWeight: 485.53108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)OCC1=CC=CC=C1)NC(=O)C2=CC(=O)N(N2)C3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C(C(=O)OCC1=CC=CC=C1)NC(=O)C2=CC(=O)N(N2)C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O5/c1-20(35-18-21-11-5-2-6-12-21)26(28(34)36-19-22-13-7-3-8-14-22)29-27(33)24-17-25(32)31(30-24)23-15-9-4-10-16-23/h2-17,20,26,30H,18-19H2,1H3,(H,29,33)