tert-butyl 2-[2-(hydroxymethyl)piperidin-4-yl]-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: tert-butyl 2-[2-(hydroxymethyl)piperidin-4-yl]-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: tert-butyl 2-[2-(hydroxymethyl)-4-piperidyl]-1-oxo-isoquinoline-3-carboxylate CAS Name: 2-[2-(hydroxymethyl)-4-piperidinyl]-1-oxo-3-isoquinolinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(hydroxymethyl)piperidin-4-yl]-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-(2-methylol-4-piperidyl)isoquinoline-3-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)C1=CC2=CC=CC=C2C(=O)N1C3CCNC(C3)CO

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC2=CC=CC=C2C(=O)N1C3CCNC(C3)CO

InChI

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