methyl 4-[(3,5-diphenylpyrazol-1-yl)methyl]-3-methoxy-benzoate

Systemtic Name: methyl 4-[(3,5-diphenylpyrazol-1-yl)methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[(3,5-diphenylpyrazol-1-yl)methyl]-3-methoxy-benzoate CAS Name: 4-[(3,5-diphenyl-1-pyrazolyl)methyl]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[(3,5-diphenylpyrazol-1-yl)methyl]-3-methoxybenzoate Traditional Name: 4-[(3,5-diphenylpyrazol-1-yl)methyl]-3-methoxy-benzoic acid methyl ester Formula: C25H22N2O3 MolecularWeight: 398.45378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CN2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CN2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3/c1-29-24-15-20(25(28)30-2)13-14-21(24)17-27-23(19-11-7-4-8-12-19)16-22(26-27)18-9-5-3-6-10-18/h3-16H,17H2,1-2H3