[4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(cyclopropylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-2-cyano-3-(cyclopropylamino)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3CC3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3CC3)OC

InChI

InChI=1S/C22H20N2O5/c1-27-18-8-4-15(5-9-18)22(26)29-19-10-3-14(12-20(19)28-2)11-16(13-23)21(25)24-17-6-7-17/h3-5,8-12,17H,6-7H2,1-2H3,(H,24,25)/b16-11+