methyl 4-[(2-ethyl-6-methyl-phenyl)amino]-2-methyl-4-oxidanylidene-3-prop-2-ynoxy-butanoate

Systemtic Name: methyl 4-[(2-ethyl-6-methyl-phenyl)amino]-2-methyl-4-oxidanylidene-3-prop-2-ynoxy-butanoate Openeye Name: methyl 4-(2-ethyl-6-methyl-anilino)-2-methyl-4-oxo-3-prop-2-ynoxy-butanoate CAS Name: 4-(2-ethyl-6-methylanilino)-2-methyl-4-oxo-3-prop-2-ynoxybutanoic acid methyl ester IUPAC Name: methyl 4-(2-ethyl-6-methylanilino)-2-methyl-4-oxo-3-prop-2-ynoxybutanoate Traditional Name: 4-(2-ethyl-6-methyl-anilino)-4-keto-2-methyl-3-propargyloxy-butyric acid methyl ester Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C(C)C(=O)OC)OCC#C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C(C)C(=O)OC)OCC#C)C

InChI

InChI=1S/C18H23NO4/c1-6-11-23-16(13(4)18(21)22-5)17(20)19-15-12(3)9-8-10-14(15)7-2/h1,8-10,13,16H,7,11H2,2-5H3,(H,19,20)