methyl 2-[5-(3-cyanophenyl)carbonyl-2-methoxy-phenyl]ethanoate

Systemtic Name: methyl 2-[5-(3-cyanophenyl)carbonyl-2-methoxy-phenyl]ethanoate Openeye Name: methyl 2-[5-(3-cyanobenzoyl)-2-methoxy-phenyl]acetate CAS Name: 2-[5-[(3-cyanophenyl)-oxomethyl]-2-methoxyphenyl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(3-cyanobenzoyl)-2-methoxyphenyl]acetate Traditional Name: 2-[5-(3-cyanobenzoyl)-2-methoxy-phenyl]acetic acid methyl ester Formula: C18H15NO4 MolecularWeight: 309.316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO4/c1-22-16-7-6-14(9-15(16)10-17(20)23-2)18(21)13-5-3-4-12(8-13)11-19/h3-9H,10H2,1-2H3