[3-(4-phenylmethoxyphenyl)-2-(phenylmethyl)-1,3-dihydropyrazol-5-yl] hydrogen carbonate

Systemtic Name: [3-(4-phenylmethoxyphenyl)-2-(phenylmethyl)-1,3-dihydropyrazol-5-yl] hydrogen carbonate Openeye Name: [2-benzyl-3-(4-benzyloxyphenyl)-1,3-dihydropyrazol-5-yl] hydrogen carbonate CAS Name: carbonic acid [3-(4-phenylmethoxyphenyl)-2-(phenylmethyl)-1,3-dihydropyrazol-5-yl] ester IUPAC Name: [2-benzyl-3-(4-phenylmethoxyphenyl)-1,3-dihydropyrazol-5-yl] hydrogen carbonate Traditional Name: carbonic acid [5-(4-benzoxyphenyl)-1-benzyl-3-pyrazolin-3-yl] ester Formula: C24H22N2O4 MolecularWeight: 402.44248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(C=C(N2)OC(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(C=C(N2)OC(=O)O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O4/c27-24(28)30-23-15-22(26(25-23)16-18-7-3-1-4-8-18)20-11-13-21(14-12-20)29-17-19-9-5-2-6-10-19/h1-15,22,25H,16-17H2,(H,27,28)