tert-butyl 4-[[2-(2-acetyloxyethyl)-1-oxidanylidene-isoquinolin-5-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(2-acetyloxyethyl)-1-oxidanylidene-isoquinolin-5-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(2-acetoxyethyl)-1-oxo-5-isoquinolyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[2-(2-acetyloxyethyl)-1-oxo-5-isoquinolinyl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(2-acetyloxyethyl)-1-oxoisoquinolin-5-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[2-(2-acetoxyethyl)-1-keto-5-isoquinolyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H31N3O6 MolecularWeight: 457.51944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCN1C=CC2=C(C1=O)C=CC=C2NC(=O)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OCCN1C=CC2=C(C1=O)C=CC=C2NC(=O)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C24H31N3O6/c1-16(28)32-15-14-26-13-10-18-19(22(26)30)6-5-7-20(18)25-21(29)17-8-11-27(12-9-17)23(31)33-24(2,3)4/h5-7,10,13,17H,8-9,11-12,14-15H2,1-4H3,(H,25,29)