2-[(E)-2-[4-(2-hydroxyethyloxy)phenyl]ethenoxy]-2-oxidanylidene-ethanoate; isoquinoline

Systemtic Name: 2-[(E)-2-[4-(2-hydroxyethyloxy)phenyl]ethenoxy]-2-oxidanylidene-ethanoate; isoquinoline Openeye Name: 2-[(E)-2-[4-(2-hydroxyethoxy)phenyl]vinyloxy]-2-oxo-acetate; isoquinoline CAS Name: 2-[(E)-2-[4-(2-hydroxyethoxy)phenyl]ethenoxy]-2-oxoacetate; isoquinoline IUPAC Name: 2-[(E)-2-[4-(2-hydroxyethoxy)phenyl]ethenoxy]-2-oxoacetate; isoquinoline Traditional Name: 2-[(E)-2-[4-(2-hydroxyethoxy)phenyl]vinyloxy]-2-keto-acetate; isoquinoline Formula: C21H18NO6- MolecularWeight: 380.37072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=NC=CC2=C1.C1=CC(=CC=C1C=COC(=O)C(=O)[O-])OCCO

Isomeric SMILES

C1=CC=C2C=NC=CC2=C1.C1=CC(=CC=C1/C=C/OC(=O)C(=O)[O-])OCCO

InChI

InChI=1S/C12H12O6.C9H7N/c13-6-8-17-10-3-1-9(2-4-10)5-7-18-12(16)11(14)15;1-2-4-9-7-10-6-5-8(9)3-1/h1-5,7,13H,6,8H2,(H,14,15);1-7H/p-1/b7-5+;