methyl (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-yl-pent-4-enoate

Systemtic Name: methyl (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-yl-pent-4-enoate Openeye Name: methyl (E,2S)-2-(tert-butoxycarbonylamino)-5-(3-pyridyl)pent-4-enoate CAS Name: (E,2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-5-(3-pyridinyl)-4-pentenoic acid methyl ester IUPAC Name: methyl (E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-pyridin-3-ylpent-4-enoate Traditional Name: (E,2S)-2-(tert-butoxycarbonylamino)-5-(3-pyridyl)pent-4-enoic acid methyl ester Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4/c1-16(2,3)22-15(20)18-13(14(19)21-4)9-5-7-12-8-6-10-17-11-12/h5-8,10-11,13H,9H2,1-4H3,(H,18,20)/b7-5+/t13-/m0/s1