(E)-5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-5-oxidanylidene-pent-2-enoic acid

Systemtic Name: (E)-5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-5-oxidanylidene-pent-2-enoic acid Openeye Name: (E)-5-[[3-methoxy-4-(tetrahydrofuran-2-ylmethoxy)phenyl]methylamino]-5-oxo-pent-2-enoic acid CAS Name: (E)-5-[[3-methoxy-4-(2-oxolanylmethoxy)phenyl]methylamino]-5-oxo-2-pentenoic acid IUPAC Name: (E)-5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-5-oxopent-2-enoic acid Traditional Name: (E)-5-keto-5-[[3-methoxy-4-(tetrahydrofurfuryloxy)benzyl]amino]pent-2-enoic acid Formula: C18H23NO6 MolecularWeight: 349.37832

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)CC=CC(=O)O)OCC2CCCO2

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)C/C=C/C(=O)O)OCC2CCCO2

InChI

InChI=1S/C18H23NO6/c1-23-16-10-13(11-19-17(20)5-2-6-18(21)22)7-8-15(16)25-12-14-4-3-9-24-14/h2,6-8,10,14H,3-5,9,11-12H2,1H3,(H,19,20)(H,21,22)/b6-2+