ethyl 4-[(3S)-1-(4-iodanyl-2-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-(4-iodanyl-2-methyl-phenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-(4-iodo-2-methyl-phenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-(4-iodo-2-methylphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-(4-iodo-2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(4-iodo-2-methyl-phenyl)-2,5-diketo-pyrrolidin-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H22IN3O4 MolecularWeight: 471.28945

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CC(=O)N(C2=O)C3=C(C=C(C=C3)I)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CC(=O)N(C2=O)C3=C(C=C(C=C3)I)C

InChI

InChI=1S/C18H22IN3O4/c1-3-26-18(25)21-8-6-20(7-9-21)15-11-16(23)22(17(15)24)14-5-4-13(19)10-12(14)2/h4-5,10,15H,3,6-9,11H2,1-2H3/t15-/m0/s1