[4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 3-(4-butoxy-3-ethoxy-phenyl)propanoate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(propan-2-ylamino)prop-1-enyl]-2-methoxy-phenyl] 3-(4-butoxy-3-ethoxy-phenyl)propanoate Openeye Name: [4-[(E)-2-cyano-3-(isopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3-(4-butoxy-3-ethoxy-phenyl)propanoate CAS Name: 3-(4-butoxy-3-ethoxyphenyl)propanoic acid [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(propan-2-ylamino)prop-1-enyl]-2-methoxyphenyl] 3-(4-butoxy-3-ethoxyphenyl)propanoate Traditional Name: 3-(4-butoxy-3-ethoxy-phenyl)propionic acid [4-[(E)-2-cyano-3-(isopropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C29H36N2O6 MolecularWeight: 508.60594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC(C)C)OC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CCC(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC(C)C)OC)OCC

InChI

InChI=1S/C29H36N2O6/c1-6-8-15-36-24-12-9-21(17-27(24)35-7-2)11-14-28(32)37-25-13-10-22(18-26(25)34-5)16-23(19-30)29(33)31-20(3)4/h9-10,12-13,16-18,20H,6-8,11,14-15H2,1-5H3,(H,31,33)/b23-16+