4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid 4-phthalimidobutyl ester Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C26H28N2O5/c1-18-8-2-3-9-20(18)23(29)27-15-12-19(13-16-27)26(32)33-17-7-6-14-28-24(30)21-10-4-5-11-22(21)25(28)31/h2-5,8-11,19H,6-7,12-17H2,1H3