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

Systemtic Name: methyl 4-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-(4-methoxyphenyl)methyl]amino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C3=CC=C(C=C3)OC)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H27N3O4/c1-18-24(26(31)30(29(18)2)22-8-6-5-7-9-22)25(19-12-16-23(33-3)17-13-19)28-21-14-10-20(11-15-21)27(32)34-4/h5-17,25,28H,1-4H3