ethyl 4-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(4-methoxyphenyl)methyl]amino]benzoate

Systemtic Name: ethyl 4-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(4-methoxyphenyl)methyl]amino]benzoate Openeye Name: ethyl 4-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-(4-methoxyphenyl)methyl]amino]benzoate CAS Name: 4-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-(4-methoxyphenyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methoxyphenyl)methyl]amino]benzoate Traditional Name: 4-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-(4-methoxyphenyl)methyl]amino]benzoic acid ethyl ester Formula: C28H29N3O4 MolecularWeight: 471.54756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(C2=CC=C(C=C2)OC)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(C2=CC=C(C=C2)OC)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C28H29N3O4/c1-5-35-28(33)21-11-15-22(16-12-21)29-26(20-13-17-24(34-4)18-14-20)25-19(2)30(3)31(27(25)32)23-9-7-6-8-10-23/h6-18,26,29H,5H2,1-4H3