diethyl 4-phenylmethoxy-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrazole-3,5-dicarboxylate

Systemtic Name: diethyl 4-phenylmethoxy-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrazole-3,5-dicarboxylate Openeye Name: diethyl 4-benzyloxy-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrazole-3,5-dicarboxylate CAS Name: 4-phenylmethoxy-1-[4-(1-pyrrolidinyl)but-2-ynyl]pyrazole-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-phenylmethoxy-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrazole-3,5-dicarboxylate Traditional Name: 4-benzoxy-1-(4-pyrrolidinobut-2-ynyl)pyrazole-3,5-dicarboxylic acid diethyl ester Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NN1CC#CCN2CCCC2)C(=O)OCC)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=NN1CC#CCN2CCCC2)C(=O)OCC)OCC3=CC=CC=C3

InChI

InChI=1S/C24H29N3O5/c1-3-30-23(28)20-22(32-18-19-12-6-5-7-13-19)21(24(29)31-4-2)27(25-20)17-11-10-16-26-14-8-9-15-26/h5-7,12-13H,3-4,8-9,14-18H2,1-2H3