methyl 3,5-bis(3-azanylprop-1-ynyl)benzoate

Systemtic Name: methyl 3,5-bis(3-azanylprop-1-ynyl)benzoate Openeye Name: methyl 3,5-bis(3-aminoprop-1-ynyl)benzoate CAS Name: 3,5-bis(3-aminoprop-1-ynyl)benzoic acid methyl ester IUPAC Name: methyl 3,5-bis(3-aminoprop-1-ynyl)benzoate Traditional Name: 3,5-bis(3-aminoprop-1-ynyl)benzoic acid methyl ester Formula: C14H14N2O2 MolecularWeight: 242.27316

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C#CCN)C#CCN

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C#CCN)C#CCN

InChI

InChI=1S/C14H14N2O2/c1-18-14(17)13-9-11(4-2-6-15)8-12(10-13)5-3-7-16/h8-10H,6-7,15-16H2,1H3