methyl 4-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: methyl 4-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: methyl 4-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[methyl-[(1-phenyl-4-pyrazolyl)methyl]amino]-2-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethoxy]benzoate Traditional Name: 4-[2-keto-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]ethoxy]benzoic acid methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O4/c1-23(13-16-12-22-24(14-16)18-6-4-3-5-7-18)20(25)15-28-19-10-8-17(9-11-19)21(26)27-2/h3-12,14H,13,15H2,1-2H3