methyl 4-[(3,5-diphenylpyrazol-1-yl)methyl]-3-propan-2-yloxy-benzoate

Systemtic Name: methyl 4-[(3,5-diphenylpyrazol-1-yl)methyl]-3-propan-2-yloxy-benzoate Openeye Name: methyl 4-[(3,5-diphenylpyrazol-1-yl)methyl]-3-isopropoxy-benzoate CAS Name: 4-[(3,5-diphenyl-1-pyrazolyl)methyl]-3-propan-2-yloxybenzoic acid methyl ester IUPAC Name: methyl 4-[(3,5-diphenylpyrazol-1-yl)methyl]-3-propan-2-yloxybenzoate Traditional Name: 4-[(3,5-diphenylpyrazol-1-yl)methyl]-3-isopropoxy-benzoic acid methyl ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC(=C1)C(=O)OC)CN2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=C(C=CC(=C1)C(=O)OC)CN2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3/c1-19(2)32-26-16-22(27(30)31-3)14-15-23(26)18-29-25(21-12-8-5-9-13-21)17-24(28-29)20-10-6-4-7-11-20/h4-17,19H,18H2,1-3H3