methyl 4-azanyl-2-chloranyl-5-(3-morpholin-4-ylprop-1-ynyl)benzoate

Systemtic Name: methyl 4-azanyl-2-chloranyl-5-(3-morpholin-4-ylprop-1-ynyl)benzoate Openeye Name: methyl 4-amino-2-chloro-5-(3-morpholinoprop-1-ynyl)benzoate CAS Name: 4-amino-2-chloro-5-[3-(4-morpholinyl)prop-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-amino-2-chloro-5-(3-morpholin-4-ylprop-1-ynyl)benzoate Traditional Name: 4-amino-2-chloro-5-(3-morpholinoprop-1-ynyl)benzoic acid methyl ester Formula: C15H17ClN2O3 MolecularWeight: 308.76008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C(=C1)C#CCN2CCOCC2)N)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C(=C1)C#CCN2CCOCC2)N)Cl

InChI

InChI=1S/C15H17ClN2O3/c1-20-15(19)12-9-11(14(17)10-13(12)16)3-2-4-18-5-7-21-8-6-18/h9-10H,4-8,17H2,1H3