2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 1-butyl-2-(2-methoxyphenyl)-6-oxidanylidene-piperidine-3-carboxylate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 1-butyl-2-(2-methoxyphenyl)-6-oxo-piperidine-3-carboxylate CAS Name: 1-butyl-2-(2-methoxyphenyl)-6-oxo-3-piperidinecarboxylic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-2-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylate Traditional Name: 1-butyl-6-keto-2-(2-methoxyphenyl)nipecotic acid 2-phthalimidoethyl ester Formula: C27H30N2O6 MolecularWeight: 478.5369

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C(CCC1=O)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4OC

Isomeric SMILES

CCCCN1C(C(CCC1=O)C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4OC

InChI

InChI=1S/C27H30N2O6/c1-3-4-15-28-23(30)14-13-21(24(28)20-11-7-8-12-22(20)34-2)27(33)35-17-16-29-25(31)18-9-5-6-10-19(18)26(29)32/h5-12,21,24H,3-4,13-17H2,1-2H3