ethyl 4-[4-[(3,4-dimethoxyphenyl)carbamoyl]-3-oxidanylidene-1H-isoindol-2-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3,4-dimethoxyphenyl)carbamoyl]-3-oxidanylidene-1H-isoindol-2-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[7-[(3,4-dimethoxyphenyl)carbamoyl]-1-oxo-isoindolin-2-yl]piperidine-1-carboxylate CAS Name: 4-[4-[(3,4-dimethoxyanilino)-oxomethyl]-3-oxo-1H-isoindol-2-yl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3,4-dimethoxyphenyl)carbamoyl]-3-oxo-1H-isoindol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[7-[(3,4-dimethoxyphenyl)carbamoyl]-1-keto-isoindolin-2-yl]piperidine-1-carboxylic acid ethyl ester Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2CC3=CC=CC(=C3C2=O)C(=O)NC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H29N3O6/c1-4-34-25(31)27-12-10-18(11-13-27)28-15-16-6-5-7-19(22(16)24(28)30)23(29)26-17-8-9-20(32-2)21(14-17)33-3/h5-9,14,18H,4,10-13,15H2,1-3H3,(H,26,29)