[4-[(E)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-phenethylbenzoate

Systemtic Name: [4-[(E)-2-cyano-3-morpholin-4-yl-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 2-phenethylbenzoate Openeye Name: [4-[(E)-2-cyano-3-morpholino-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [4-[(E)-2-cyano-3-(4-morpholinyl)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-morpholin-4-yl-3-oxoprop-1-enyl]-2-methoxyphenyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid [4-[(E)-2-cyano-3-keto-3-morpholino-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C30H28N2O5 MolecularWeight: 496.55372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N2CCOCC2)OC(=O)C3=CC=CC=C3CCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N2CCOCC2)OC(=O)C3=CC=CC=C3CCC4=CC=CC=C4

InChI

InChI=1S/C30H28N2O5/c1-35-28-20-23(19-25(21-31)29(33)32-15-17-36-18-16-32)12-14-27(28)37-30(34)26-10-6-5-9-24(26)13-11-22-7-3-2-4-8-22/h2-10,12,14,19-20H,11,13,15-18H2,1H3/b25-19+