methyl (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-pyridin-3-yl-hex-5-enoate

Systemtic Name: methyl (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-pyridin-3-yl-hex-5-enoate Openeye Name: methyl (E,2S)-2-(tert-butoxycarbonylamino)-6-(3-pyridyl)hex-5-enoate CAS Name: (E,2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-(3-pyridinyl)-5-hexenoic acid methyl ester IUPAC Name: methyl (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-pyridin-3-ylhex-5-enoate Traditional Name: (E,2S)-2-(tert-butoxycarbonylamino)-6-(3-pyridyl)hex-5-enoic acid methyl ester Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC=CC1=CN=CC=C1)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC/C=C/C1=CN=CC=C1)C(=O)OC

InChI

InChI=1S/C17H24N2O4/c1-17(2,3)23-16(21)19-14(15(20)22-4)10-6-5-8-13-9-7-11-18-12-13/h5,7-9,11-12,14H,6,10H2,1-4H3,(H,19,21)/b8-5+/t14-/m0/s1