ethyl 2-cyano-3-(4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl)-3-phenyl-propanoate

Systemtic Name: ethyl 2-cyano-3-(4-oxidanylidene-2-phenyl-2,3-dihydrochromen-3-yl)-3-phenyl-propanoate Openeye Name: ethyl 2-cyano-3-(4-oxo-2-phenyl-chroman-3-yl)-3-phenyl-propanoate CAS Name: 2-cyano-3-(4-oxo-2-phenyl-3,4-dihydro-2H-1-benzopyran-3-yl)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-(4-oxo-2-phenyl-2,3-dihydrochromen-3-yl)-3-phenylpropanoate Traditional Name: 2-cyano-3-(4-keto-2-phenyl-chroman-3-yl)-3-phenyl-propionic acid ethyl ester Formula: C27H23NO4 MolecularWeight: 425.47582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C(C#N)C(C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO4/c1-2-31-27(30)21(17-28)23(18-11-5-3-6-12-18)24-25(29)20-15-9-10-16-22(20)32-26(24)19-13-7-4-8-14-19/h3-16,21,23-24,26H,2H2,1H3