tert-butyl 3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-2-oxidanylidene-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-(3-cyclopentyloxy-4-methoxy-phenyl)-3-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-2-oxidanylidene-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-3-[(1-oxidopyridin-1-ium-4-yl)methyl]-2-oxo-pyrrolidine-1-carboxylate CAS Name: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(1-oxido-4-pyridin-1-iumyl)methyl]-2-oxo-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-[(1-oxidopyridin-1-ium-4-yl)methyl]-2-oxopyrrolidine-1-carboxylate Traditional Name: 3-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-keto-3-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1=O)(CC2=CC=[N+](C=C2)[O-])C3=CC(=C(C=C3)OC)OC4CCCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1=O)(CC2=CC=[N+](C=C2)[O-])C3=CC(=C(C=C3)OC)OC4CCCC4

InChI

InChI=1S/C27H34N2O6/c1-26(2,3)35-25(31)29-16-13-27(24(29)30,18-19-11-14-28(32)15-12-19)20-9-10-22(33-4)23(17-20)34-21-7-5-6-8-21/h9-12,14-15,17,21H,5-8,13,16,18H2,1-4H3