3-[4-(diphenylmethyl)pyrazol-1-yl]propyl 2-phenoxyethanoate

Systemtic Name: 3-[4-(diphenylmethyl)pyrazol-1-yl]propyl 2-phenoxyethanoate Openeye Name: 3-(4-benzhydrylpyrazol-1-yl)propyl 2-phenoxyacetate CAS Name: 2-phenoxyacetic acid 3-[4-(diphenylmethyl)-1-pyrazolyl]propyl ester IUPAC Name: 3-(4-benzhydrylpyrazol-1-yl)propyl 2-phenoxyacetate Traditional Name: 2-phenoxyacetic acid 3-(4-benzhydrylpyrazol-1-yl)propyl ester Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN(N=C3)CCCOC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN(N=C3)CCCOC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C27H26N2O3/c30-26(21-32-25-15-8-3-9-16-25)31-18-10-17-29-20-24(19-28-29)27(22-11-4-1-5-12-22)23-13-6-2-7-14-23/h1-9,11-16,19-20,27H,10,17-18,21H2