[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-chloranyl-5-methoxy-4-(3-methylbutoxy)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-chloranyl-5-methoxy-4-(3-methylbutoxy)benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-chloro-4-isopentyloxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-chloro-5-methoxy-4-(3-methylbutoxy)benzoate Traditional Name: 3-chloro-4-isoamoxy-5-methoxy-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C18H22ClNO5 MolecularWeight: 367.82398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC#C)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NCC#C)OC

InChI

InChI=1S/C18H22ClNO5/c1-5-7-20-16(21)11-25-18(22)13-9-14(19)17(15(10-13)23-4)24-8-6-12(2)3/h1,9-10,12H,6-8,11H2,2-4H3,(H,20,21)