(Z,3S)-3-azaniumyl-7-[(2-methylpropan-2-yl)oxy]-7-oxidanylidene-6-phenyl-hept-5-enoate

Systemtic Name: (Z,3S)-3-azaniumyl-7-[(2-methylpropan-2-yl)oxy]-7-oxidanylidene-6-phenyl-hept-5-enoate Openeye Name: (Z,3S)-3-azaniumyl-7-tert-butoxy-7-oxo-6-phenyl-hept-5-enoate CAS Name: (Z,3S)-3-ammonio-7-[(2-methylpropan-2-yl)oxy]-7-oxo-6-phenyl-5-heptenoate IUPAC Name: (Z,3S)-3-azaniumyl-7-[(2-methylpropan-2-yl)oxy]-7-oxo-6-phenylhept-5-enoate Traditional Name: (Z,3S)-3-ammonio-7-tert-butoxy-7-keto-6-phenyl-hept-5-enoate Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=CCC(CC(=O)[O-])[NH3+])C1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)/C(=C\C[C@@H](CC(=O)[O-])[NH3+])/C1=CC=CC=C1

InChI

InChI=1S/C17H23NO4/c1-17(2,3)22-16(21)14(12-7-5-4-6-8-12)10-9-13(18)11-15(19)20/h4-8,10,13H,9,11,18H2,1-3H3,(H,19,20)/b14-10-/t13-/m0/s1