prop-2-ynyl 5-[(3-methylphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: prop-2-ynyl 5-[(3-methylphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: prop-2-ynyl 5-(3-methylanilino)-5-oxo-pentanoate CAS Name: 5-(3-methylanilino)-5-oxopentanoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 5-(3-methylanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(m-toluidino)valeric acid propargyl ester Formula: C15H17NO3 MolecularWeight: 259.30038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CCCC(=O)OCC#C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CCCC(=O)OCC#C

InChI

InChI=1S/C15H17NO3/c1-3-10-19-15(18)9-5-8-14(17)16-13-7-4-6-12(2)11-13/h1,4,6-7,11H,5,8-10H2,2H3,(H,16,17)