tert-butyl 2-(hydroxymethyl)-4-(1-oxidanylidene-2H-isoquinolin-3-yl)piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-(hydroxymethyl)-4-(1-oxidanylidene-2H-isoquinolin-3-yl)piperidine-1-carboxylate Openeye Name: tert-butyl 2-(hydroxymethyl)-4-(1-oxo-2H-isoquinolin-3-yl)piperidine-1-carboxylate CAS Name: 2-(hydroxymethyl)-4-(1-oxo-2H-isoquinolin-3-yl)-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(hydroxymethyl)-4-(1-oxo-2H-isoquinolin-3-yl)piperidine-1-carboxylate Traditional Name: 4-(1-keto-2H-isoquinolin-3-yl)-2-methylol-piperidine-1-carboxylic acid tert-butyl ester Formula: C20H26N2O4 MolecularWeight: 358.43144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1CO)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1CO)C2=CC3=CC=CC=C3C(=O)N2

InChI

InChI=1S/C20H26N2O4/c1-20(2,3)26-19(25)22-9-8-14(10-15(22)12-23)17-11-13-6-4-5-7-16(13)18(24)21-17/h4-7,11,14-15,23H,8-10,12H2,1-3H3,(H,21,24)