methanamine; methyl 4-[4-(4-cyanophenyl)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methanamine; methyl 4-[4-(4-cyanophenyl)phenyl]-4-oxidanylidene-butanoate Openeye Name: methanamine; methyl 4-[4-(4-cyanophenyl)phenyl]-4-oxo-butanoate CAS Name: 4-[4-(4-cyanophenyl)phenyl]-4-oxobutanoic acid methyl ester; methanamine IUPAC Name: methanamine; methyl 4-[4-(4-cyanophenyl)phenyl]-4-oxobutanoate Traditional Name: 4-[4-(4-cyanophenyl)phenyl]-4-keto-butyric acid methyl ester; methylamine Formula: C19H20N2O3 MolecularWeight: 324.3737

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Descriptors Computed from Structure

Canonical SMILES:

CN.COC(=O)CCC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C#N

Isomeric SMILES

CN.COC(=O)CCC(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H15NO3.CH5N/c1-22-18(21)11-10-17(20)16-8-6-15(7-9-16)14-4-2-13(12-19)3-5-14;1-2/h2-9H,10-11H2,1H3;2H2,1H3