2-[4-[(E)-3-[3-(2-azanylethyl)phenyl]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[(E)-3-[3-(2-azanylethyl)phenyl]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenoxy]ethanoic acid Openeye Name: 2-[4-[(E)-3-[3-(2-aminoethyl)phenyl]-3-oxo-prop-1-enyl]-2-ethoxy-phenoxy]acetic acid CAS Name: 2-[4-[(E)-3-[3-(2-aminoethyl)phenyl]-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetic acid IUPAC Name: 2-[4-[(E)-3-[3-(2-aminoethyl)phenyl]-3-oxoprop-1-enyl]-2-ethoxyphenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-[3-(2-aminoethyl)phenyl]-3-keto-prop-1-enyl]-2-ethoxy-phenoxy]acetic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)C2=CC(=CC=C2)CCN)OCC(=O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=CC=C2)CCN)OCC(=O)O

InChI

InChI=1S/C21H23NO5/c1-2-26-20-13-16(7-9-19(20)27-14-21(24)25)6-8-18(23)17-5-3-4-15(12-17)10-11-22/h3-9,12-13H,2,10-11,14,22H2,1H3,(H,24,25)/b8-6+