(1,3-diphenylpyrazol-4-yl)methyl 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-benzoate

Systemtic Name: (1,3-diphenylpyrazol-4-yl)methyl 4-(2-azanyl-2-oxidanylidene-ethoxy)-3-methoxy-benzoate Openeye Name: (1,3-diphenylpyrazol-4-yl)methyl 4-(2-amino-2-oxo-ethoxy)-3-methoxy-benzoate CAS Name: 4-(2-amino-2-oxoethoxy)-3-methoxybenzoic acid (1,3-diphenyl-4-pyrazolyl)methyl ester IUPAC Name: (1,3-diphenylpyrazol-4-yl)methyl 4-(2-amino-2-oxoethoxy)-3-methoxybenzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)-3-methoxy-benzoic acid (1,3-diphenylpyrazol-4-yl)methyl ester Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)OCC(=O)N

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)OCC(=O)N

InChI

InChI=1S/C26H23N3O5/c1-32-23-14-19(12-13-22(23)33-17-24(27)30)26(31)34-16-20-15-29(21-10-6-3-7-11-21)28-25(20)18-8-4-2-5-9-18/h2-15H,16-17H2,1H3,(H2,27,30)