(phenylmethyl) 2-[[4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]carbonylamino]-3-phenylmethoxy-butanoate

Systemtic Name: (phenylmethyl) 2-[[4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)phenyl]carbonylamino]-3-phenylmethoxy-butanoate Openeye Name: benzyl 3-benzyloxy-2-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl]amino]butanoate CAS Name: 2-[[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]-oxomethyl]amino]-3-phenylmethoxybutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzoyl]amino]-3-phenylmethoxybutanoate Traditional Name: 3-benzoxy-2-[[4-(5-keto-3-methyl-2-pyrazolin-1-yl)benzoyl]amino]butyric acid benzyl ester Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC(C(C)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC(C(C)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O5/c1-20-17-26(33)32(31-20)25-15-13-24(14-16-25)28(34)30-27(21(2)36-18-22-9-5-3-6-10-22)29(35)37-19-23-11-7-4-8-12-23/h3-16,21,27H,17-19H2,1-2H3,(H,30,34)