tert-butyl 2-[(3R,4R)-3-acetamido-4-(1H-indol-3-yl)-2-oxidanylidene-piperidin-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3R,4R)-3-acetamido-4-(1H-indol-3-yl)-2-oxidanylidene-piperidin-1-yl]ethanoate Openeye Name: tert-butyl 2-[(3R,4R)-3-acetamido-4-(1H-indol-3-yl)-2-oxo-1-piperidyl]acetate CAS Name: 2-[(3R,4R)-3-acetamido-4-(1H-indol-3-yl)-2-oxo-1-piperidinyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3R,4R)-3-acetamido-4-(1H-indol-3-yl)-2-oxopiperidin-1-yl]acetate Traditional Name: 2-[(3R,4R)-3-acetamido-4-(1H-indol-3-yl)-2-keto-piperidino]acetic acid tert-butyl ester Formula: C21H27N3O4 MolecularWeight: 385.45678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(CCN(C1=O)CC(=O)OC(C)(C)C)C2=CNC3=CC=CC=C32

Isomeric SMILES

CC(=O)N[C@@H]1[C@H](CCN(C1=O)CC(=O)OC(C)(C)C)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H27N3O4/c1-13(25)23-19-15(16-11-22-17-8-6-5-7-14(16)17)9-10-24(20(19)27)12-18(26)28-21(2,3)4/h5-8,11,15,19,22H,9-10,12H2,1-4H3,(H,23,25)/t15-,19-/m1/s1