methyl 4-azanyl-3-dodeca-1,3-diynyl-benzoate

Systemtic Name: methyl 4-azanyl-3-dodeca-1,3-diynyl-benzoate Openeye Name: methyl 4-amino-3-dodeca-1,3-diynyl-benzoate CAS Name: 4-amino-3-dodeca-1,3-diynylbenzoic acid methyl ester IUPAC Name: methyl 4-amino-3-dodeca-1,3-diynylbenzoate Traditional Name: 4-amino-3-dodeca-1,3-diynyl-benzoic acid methyl ester Formula: C20H25NO2 MolecularWeight: 311.418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC#CC1=C(C=CC(=C1)C(=O)OC)N

Isomeric SMILES

CCCCCCCCC#CC#CC1=C(C=CC(=C1)C(=O)OC)N

InChI

InChI=1S/C20H25NO2/c1-3-4-5-6-7-8-9-10-11-12-13-17-16-18(20(22)23-2)14-15-19(17)21/h14-16H,3-9,21H2,1-2H3