methyl 4-[pentyl(phenyl)amino]but-2-ynoate

Systemtic Name: methyl 4-[pentyl(phenyl)amino]but-2-ynoate Openeye Name: methyl 4-(N-pentylanilino)but-2-ynoate CAS Name: 4-(N-pentylanilino)-2-butynoic acid methyl ester IUPAC Name: methyl 4-(N-pentylanilino)but-2-ynoate Traditional Name: 4-(N-amylanilino)but-2-ynoic acid methyl ester Formula: C16H21NO2 MolecularWeight: 259.34344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CC#CC(=O)OC)C1=CC=CC=C1

Isomeric SMILES

CCCCCN(CC#CC(=O)OC)C1=CC=CC=C1

InChI

InChI=1S/C16H21NO2/c1-3-4-8-13-17(14-9-12-16(18)19-2)15-10-6-5-7-11-15/h5-7,10-11H,3-4,8,13-14H2,1-2H3