methyl 4-[(phenylmethylidene)amino]hex-5-ynoate

Systemtic Name: methyl 4-[(phenylmethylidene)amino]hex-5-ynoate Openeye Name: methyl 4-(benzylideneamino)hex-5-ynoate CAS Name: 4-[(phenylmethylene)amino]-5-hexynoic acid methyl ester IUPAC Name: methyl 4-(benzylideneamino)hex-5-ynoate Traditional Name: 4-(benzalamino)hex-5-ynoic acid methyl ester Formula: C14H15NO2 MolecularWeight: 229.2744

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C#C)N=CC1=CC=CC=C1

Isomeric SMILES

COC(=O)CCC(C#C)N=CC1=CC=CC=C1

InChI

InChI=1S/C14H15NO2/c1-3-13(9-10-14(16)17-2)15-11-12-7-5-4-6-8-12/h1,4-8,11,13H,9-10H2,2H3