1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid 1-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl ester IUPAC Name: 1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethyl 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid 1-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]ethyl ester Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OC(C)C3=NC(=NO3)C4=CN=CC=C4

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OC(C)C3=NC(=NO3)C4=CN=CC=C4

InChI

InChI=1S/C23H22N4O3/c1-15-12-20(16(2)27(15)14-18-8-5-4-6-9-18)23(28)29-17(3)22-25-21(26-30-22)19-10-7-11-24-13-19/h4-13,17H,14H2,1-3H3