ethyl 1-[1-(4-iodophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[1-(4-iodophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[1-(4-iodophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperidine-4-carboxylate CAS Name: 1-[1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[1-(4-iodophenyl)-2,5-diketo-pyrrolidin-3-yl]isonipecotic acid ethyl ester Formula: C18H21IN2O4 MolecularWeight: 456.27481

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)I

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)I

InChI

InChI=1S/C18H21IN2O4/c1-2-25-18(24)12-7-9-20(10-8-12)15-11-16(22)21(17(15)23)14-5-3-13(19)4-6-14/h3-6,12,15H,2,7-11H2,1H3