methyl 3-[3-(4-cyanophenyl)propanoylamino]-4-methanoyl-benzoate

Systemtic Name: methyl 3-[3-(4-cyanophenyl)propanoylamino]-4-methanoyl-benzoate Openeye Name: methyl 3-[3-(4-cyanophenyl)propanoylamino]-4-formyl-benzoate CAS Name: 3-[[3-(4-cyanophenyl)-1-oxopropyl]amino]-4-formylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(4-cyanophenyl)propanoylamino]-4-formylbenzoate Traditional Name: 3-[3-(4-cyanophenyl)propanoylamino]-4-formyl-benzoic acid methyl ester Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C=O)NC(=O)CCC2=CC=C(C=C2)C#N

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C=O)NC(=O)CCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H16N2O4/c1-25-19(24)15-7-8-16(12-22)17(10-15)21-18(23)9-6-13-2-4-14(11-20)5-3-13/h2-5,7-8,10,12H,6,9H2,1H3,(H,21,23)