methyl 2-[2-(2-aminophenyl)ethynyl]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[2-(2-aminophenyl)ethynyl]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[2-(2-aminophenyl)ethynyl]-4,5-dimethoxy-benzoate CAS Name: 2-[2-(2-aminophenyl)ethynyl]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[2-(2-aminophenyl)ethynyl]-4,5-dimethoxybenzoate Traditional Name: 2-[2-(2-aminophenyl)ethynyl]-4,5-dimethoxy-benzoic acid methyl ester Formula: C18H17NO4 MolecularWeight: 311.33188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#CC2=CC=CC=C2N)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#CC2=CC=CC=C2N)C(=O)OC)OC

InChI

InChI=1S/C18H17NO4/c1-21-16-10-13(9-8-12-6-4-5-7-15(12)19)14(18(20)23-3)11-17(16)22-2/h4-7,10-11H,19H2,1-3H3