ethyl 4-[(5S)-6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexyl]benzoate

Systemtic Name: ethyl 4-[(5S)-6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-hexyl]benzoate Openeye Name: ethyl 4-[(5S)-5-(tert-butoxycarbonylamino)-6-methoxy-6-oxo-hexyl]benzoate CAS Name: 4-[(5S)-6-methoxy-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxohexyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(5S)-6-methoxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxohexyl]benzoate Traditional Name: 4-[(5S)-5-(tert-butoxycarbonylamino)-6-keto-6-methoxy-hexyl]benzoic acid ethyl ester Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CCCCC(C(=O)OC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CCCC[C@@H](C(=O)OC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO6/c1-6-27-18(23)16-13-11-15(12-14-16)9-7-8-10-17(19(24)26-5)22-20(25)28-21(2,3)4/h11-14,17H,6-10H2,1-5H3,(H,22,25)/t17-/m0/s1