[4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(4-phenylphenoxy)ethanoate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(prop-2-enylamino)prop-1-enyl]-2-methoxy-phenyl] 2-(4-phenylphenoxy)ethanoate Openeye Name: [4-[3-(allylamino)-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-(4-phenylphenoxy)acetate CAS Name: 2-(4-phenylphenoxy)acetic acid [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-(prop-2-enylamino)prop-1-enyl]-2-methoxyphenyl] 2-(4-phenylphenoxy)acetate Traditional Name: 2-(4-phenylphenoxy)acetic acid [4-[3-(allylamino)-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C28H24N2O5 MolecularWeight: 468.50056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC=C)OC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC=C)OC(=O)COC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H24N2O5/c1-3-15-30-28(32)23(18-29)16-20-9-14-25(26(17-20)33-2)35-27(31)19-34-24-12-10-22(11-13-24)21-7-5-4-6-8-21/h3-14,16-17H,1,15,19H2,2H3,(H,30,32)