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

Systemtic Name: methyl 4-azanyl-2-chloranyl-5-(3-piperidin-1-ylprop-1-ynyl)benzoate Openeye Name: methyl 4-amino-2-chloro-5-[3-(1-piperidyl)prop-1-ynyl]benzoate CAS Name: 4-amino-2-chloro-5-[3-(1-piperidinyl)prop-1-ynyl]benzoic acid methyl ester IUPAC Name: methyl 4-amino-2-chloro-5-(3-piperidin-1-ylprop-1-ynyl)benzoate Traditional Name: 4-amino-2-chloro-5-(3-piperidinoprop-1-ynyl)benzoic acid methyl ester Formula: C16H19ClN2O2 MolecularWeight: 306.78726

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C(=C1)C#CCN2CCCCC2)N)Cl

Isomeric SMILES

COC(=O)C1=C(C=C(C(=C1)C#CCN2CCCCC2)N)Cl

InChI

InChI=1S/C16H19ClN2O2/c1-21-16(20)13-10-12(15(18)11-14(13)17)6-5-9-19-7-3-2-4-8-19/h10-11H,2-4,7-9,18H2,1H3