methyl 4-[(E)-3-(3-ethylpent-1-yn-3-ylamino)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-(3-ethylpent-1-yn-3-ylamino)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-(1,1-diethylprop-2-ynylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 4-[(E)-3-(3-ethylpent-1-yn-3-ylamino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-(3-ethylpent-1-yn-3-ylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 4-[(E)-3-(1,1-diethylprop-2-ynylamino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C=CC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CCC(CC)(C#C)NC(=O)/C=C/C1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C18H21NO3/c1-5-18(6-2,7-3)19-16(20)13-10-14-8-11-15(12-9-14)17(21)22-4/h1,8-13H,6-7H2,2-4H3,(H,19,20)/b13-10+