ethyl 4-[4-[(2-ethyl-6-methyl-phenyl)carbamoyl]-3-oxidanylidene-1H-isoindol-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(2-ethyl-6-methyl-phenyl)carbamoyl]-3-oxidanylidene-1H-isoindol-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[7-[(2-ethyl-6-methyl-phenyl)carbamoyl]-1-oxo-isoindolin-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(2-ethyl-6-methylanilino)-oxomethyl]-3-oxo-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(2-ethyl-6-methylphenyl)carbamoyl]-3-oxo-1H-isoindol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[7-[(2-ethyl-6-methyl-phenyl)carbamoyl]-1-keto-isoindolin-2-yl]piperidine-1-carboxylic acid ethyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCN(CC4)C(=O)OCC)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C2=C3C(=CC=C2)CN(C3=O)C4CCN(CC4)C(=O)OCC)C

InChI

InChI=1S/C26H31N3O4/c1-4-18-9-6-8-17(3)23(18)27-24(30)21-11-7-10-19-16-29(25(31)22(19)21)20-12-14-28(15-13-20)26(32)33-5-2/h6-11,20H,4-5,12-16H2,1-3H3,(H,27,30)