methanamine; methyl 5-[4-(4-cyanophenyl)phenyl]-5-oxidanylidene-pentanoate

Systemtic Name: methanamine; methyl 5-[4-(4-cyanophenyl)phenyl]-5-oxidanylidene-pentanoate Openeye Name: methanamine; methyl 5-[4-(4-cyanophenyl)phenyl]-5-oxo-pentanoate CAS Name: 5-[4-(4-cyanophenyl)phenyl]-5-oxopentanoic acid methyl ester; methanamine IUPAC Name: methanamine; methyl 5-[4-(4-cyanophenyl)phenyl]-5-oxopentanoate Traditional Name: 5-[4-(4-cyanophenyl)phenyl]-5-keto-valeric acid methyl ester; methylamine Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO3.CH5N/c1-23-19(22)4-2-3-18(21)17-11-9-16(10-12-17)15-7-5-14(13-20)6-8-15;1-2/h5-12H,2-4H2,1H3;2H2,1H3