[4-[[(Z)-2-ethoxycarbonyl-3-oxidanylidene-hex-1-enyl]amino]-3-methoxy-phenyl] benzoate

Systemtic Name: [4-[[(Z)-2-ethoxycarbonyl-3-oxidanylidene-hex-1-enyl]amino]-3-methoxy-phenyl] benzoate Openeye Name: [4-[[(Z)-2-ethoxycarbonyl-3-oxo-hex-1-enyl]amino]-3-methoxy-phenyl] benzoate CAS Name: benzoic acid [4-[[(Z)-2-ethoxycarbonyl-3-oxohex-1-enyl]amino]-3-methoxyphenyl] ester IUPAC Name: [4-[[(Z)-2-ethoxycarbonyl-3-oxohex-1-enyl]amino]-3-methoxyphenyl] benzoate Traditional Name: benzoic acid [4-[[(Z)-2-carbethoxy-3-keto-hex-1-enyl]amino]-3-methoxy-phenyl] ester Formula: C23H25NO6 MolecularWeight: 411.4477

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(=CNC1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)OC)C(=O)OCC

Isomeric SMILES

CCCC(=O)/C(=C/NC1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)OC)/C(=O)OCC

InChI

InChI=1S/C23H25NO6/c1-4-9-20(25)18(23(27)29-5-2)15-24-19-13-12-17(14-21(19)28-3)30-22(26)16-10-7-6-8-11-16/h6-8,10-15,24H,4-5,9H2,1-3H3/b18-15-