propan-2-yl 4-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-1H-indole-2-carboxylate

Systemtic Name: propan-2-yl 4-[(2S)-3-(tert-butylamino)-2-oxidanyl-propoxy]-1H-indole-2-carboxylate Openeye Name: isopropyl 4-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-1H-indole-2-carboxylate CAS Name: 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]-1H-indole-2-carboxylate Traditional Name: 4-[(2S)-3-(tert-butylamino)-2-hydroxy-propoxy]-1H-indole-2-carboxylic acid isopropyl ester Formula: C19H28N2O4 MolecularWeight: 348.43662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(N1)C=CC=C2OCC(CNC(C)(C)C)O

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(N1)C=CC=C2OC[C@H](CNC(C)(C)C)O

InChI

InChI=1S/C19H28N2O4/c1-12(2)25-18(23)16-9-14-15(21-16)7-6-8-17(14)24-11-13(22)10-20-19(3,4)5/h6-9,12-13,20-22H,10-11H2,1-5H3/t13-/m0/s1