tert-butyl 3-[2-[5-(hydroxymethyl)-2-oxidanylidene-piperidin-1-yl]ethyl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[2-[5-(hydroxymethyl)-2-oxidanylidene-piperidin-1-yl]ethyl]indole-1-carboxylate Openeye Name: tert-butyl 3-[2-[5-(hydroxymethyl)-2-oxo-1-piperidyl]ethyl]indole-1-carboxylate CAS Name: 3-[2-[5-(hydroxymethyl)-2-oxo-1-piperidinyl]ethyl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-[5-(hydroxymethyl)-2-oxopiperidin-1-yl]ethyl]indole-1-carboxylate Traditional Name: 3-[2-(2-keto-5-methylol-piperidino)ethyl]indole-1-carboxylic acid tert-butyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CCN3CC(CCC3=O)CO

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CCN3CC(CCC3=O)CO

InChI

InChI=1S/C21H28N2O4/c1-21(2,3)27-20(26)23-13-16(17-6-4-5-7-18(17)23)10-11-22-12-15(14-24)8-9-19(22)25/h4-7,13,15,24H,8-12,14H2,1-3H3