ethyl (3S)-1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[3-(1,3-dioxoisoindolin-2-yl)benzoyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[3-(1,3-dioxo-2-isoindolyl)phenyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[3-(1,3-dioxoisoindol-2-yl)benzoyl]piperidine-3-carboxylate Traditional Name: (3S)-1-(3-phthalimidobenzoyl)nipecotic acid ethyl ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H22N2O5/c1-2-30-23(29)16-8-6-12-24(14-16)20(26)15-7-5-9-17(13-15)25-21(27)18-10-3-4-11-19(18)22(25)28/h3-5,7,9-11,13,16H,2,6,8,12,14H2,1H3/t16-/m0/s1