methyl 1-[(3S)-2,5-bis(oxidanylidene)-1-(4-phenoxyphenyl)pyrrolidin-3-yl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(3S)-2,5-bis(oxidanylidene)-1-(4-phenoxyphenyl)pyrrolidin-3-yl]piperidine-4-carboxylate Openeye Name: methyl 1-[(3S)-2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]piperidine-4-carboxylate CAS Name: 1-[(3S)-2,5-dioxo-1-(4-phenoxyphenyl)-3-pyrrolidinyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3S)-2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]piperidine-4-carboxylate Traditional Name: 1-[(3S)-2,5-diketo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]isonipecotic acid methyl ester Formula: C23H24N2O5 MolecularWeight: 408.44706

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O5/c1-29-23(28)16-11-13-24(14-12-16)20-15-21(26)25(22(20)27)17-7-9-19(10-8-17)30-18-5-3-2-4-6-18/h2-10,16,20H,11-15H2,1H3/t20-/m0/s1