ethyl 1-[3-[[3-oxidanylidene-2-(oxolan-2-ylmethyl)-1H-isoindol-1-yl]amino]phenyl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[[3-oxidanylidene-2-(oxolan-2-ylmethyl)-1H-isoindol-1-yl]amino]phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[3-[[3-oxo-2-(tetrahydrofuran-2-ylmethyl)isoindolin-1-yl]amino]benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[3-[[3-oxo-2-(2-oxolanylmethyl)-1H-isoindol-1-yl]amino]phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[3-oxo-2-(oxolan-2-ylmethyl)-1H-isoindol-1-yl]amino]benzoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[[3-keto-2-(tetrahydrofurfuryl)isoindolin-1-yl]amino]benzoyl]nipecotic acid ethyl ester Formula: C28H33N3O5 MolecularWeight: 491.57872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)NC3C4=CC=CC=C4C(=O)N3CC5CCCO5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC(=CC=C2)NC3C4=CC=CC=C4C(=O)N3CC5CCCO5

InChI

InChI=1S/C28H33N3O5/c1-2-35-28(34)20-9-6-14-30(17-20)26(32)19-8-5-10-21(16-19)29-25-23-12-3-4-13-24(23)27(33)31(25)18-22-11-7-15-36-22/h3-5,8,10,12-13,16,20,22,25,29H,2,6-7,9,11,14-15,17-18H2,1H3