2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(3-piperazin-1-ylphenyl)prop-1-enyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-methoxy-4-[(E)-3-oxidanylidene-3-(3-piperazin-1-ylphenyl)prop-1-enyl]phenoxy]ethanoic acid Openeye Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]phenoxy]acetic acid CAS Name: 2-[2-methoxy-4-[(E)-3-oxo-3-[3-(1-piperazinyl)phenyl]prop-1-enyl]phenoxy]acetic acid IUPAC Name: 2-[2-methoxy-4-[(E)-3-oxo-3-(3-piperazin-1-ylphenyl)prop-1-enyl]phenoxy]acetic acid Traditional Name: 2-[4-[(E)-3-keto-3-(3-piperazinophenyl)prop-1-enyl]-2-methoxy-phenoxy]acetic acid Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)C2=CC(=CC=C2)N3CCNCC3)OCC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC(=CC=C2)N3CCNCC3)OCC(=O)O

InChI

InChI=1S/C22H24N2O5/c1-28-21-13-16(6-8-20(21)29-15-22(26)27)5-7-19(25)17-3-2-4-18(14-17)24-11-9-23-10-12-24/h2-8,13-14,23H,9-12,15H2,1H3,(H,26,27)/b7-5+