(phenylmethyl) 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxylate Openeye Name: benzyl 3-(3-phenyl-4,5-dihydroisoxazol-5-yl)-1H-pyrrole-2-carboxylate CAS Name: 3-(3-phenyl-4,5-dihydroisoxazol-5-yl)-1H-pyrrole-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxylate Traditional Name: 3-(3-phenyl-2-isoxazolin-5-yl)-1H-pyrrole-2-carboxylic acid benzyl ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1C2=CC=CC=C2)C3=C(NC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1C(ON=C1C2=CC=CC=C2)C3=C(NC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O3/c24-21(25-14-15-7-3-1-4-8-15)20-17(11-12-22-20)19-13-18(23-26-19)16-9-5-2-6-10-16/h1-12,19,22H,13-14H2