5-[(E)-3-[5-(2-azanylethoxy)-2-prop-2-enoxy-phenyl]-3-oxidanylidene-prop-1-enyl]-2-(carboxymethyloxy)benzoate

Systemtic Name: 5-[(E)-3-[5-(2-azanylethoxy)-2-prop-2-enoxy-phenyl]-3-oxidanylidene-prop-1-enyl]-2-(carboxymethyloxy)benzoate Openeye Name: 5-[(E)-3-[2-allyloxy-5-(2-aminoethoxy)phenyl]-3-oxo-prop-1-enyl]-2-(carboxymethyloxy)benzoate CAS Name: 5-[(E)-3-[5-(2-aminoethoxy)-2-prop-2-enoxyphenyl]-3-oxoprop-1-enyl]-2-(carboxymethyloxy)benzoate IUPAC Name: 5-[(E)-3-[5-(2-aminoethoxy)-2-prop-2-enoxyphenyl]-3-oxoprop-1-enyl]-2-(carboxymethyloxy)benzoate Traditional Name: 5-[(E)-3-[2-allyloxy-5-(2-aminoethoxy)phenyl]-3-keto-prop-1-enyl]-2-(carboxymethyloxy)benzoate Formula: C23H22NO8- MolecularWeight: 440.42268

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1)OCCN)C(=O)C=CC2=CC(=C(C=C2)OCC(=O)O)C(=O)[O-]

Isomeric SMILES

C=CCOC1=C(C=C(C=C1)OCCN)C(=O)/C=C/C2=CC(=C(C=C2)OCC(=O)O)C(=O)[O-]

InChI

InChI=1S/C23H23NO8/c1-2-10-31-20-8-5-16(30-11-9-24)13-17(20)19(25)6-3-15-4-7-21(32-14-22(26)27)18(12-15)23(28)29/h2-8,12-13H,1,9-11,14,24H2,(H,26,27)(H,28,29)/p-1/b6-3+