ethyl 4-[(3R)-1-(2-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3R)-1-(2-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3R)-1-(2-butoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3R)-1-(2-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3R)-1-(2-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3R)-1-(2-butoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1N2C(=O)CC(C2=O)N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCOC1=CC=CC=C1N2C(=O)C[C@H](C2=O)N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C21H29N3O5/c1-3-5-14-29-18-9-7-6-8-16(18)24-19(25)15-17(20(24)26)22-10-12-23(13-11-22)21(27)28-4-2/h6-9,17H,3-5,10-15H2,1-2H3/t17-/m1/s1