methyl 4-chloranyl-3-(2-piperazin-1-ylethanoylamino)benzoate

Systemtic Name: methyl 4-chloranyl-3-(2-piperazin-1-ylethanoylamino)benzoate Openeye Name: methyl 4-chloro-3-[(2-piperazin-1-ylacetyl)amino]benzoate CAS Name: 4-chloro-3-[[1-oxo-2-(1-piperazinyl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(2-piperazin-1-ylacetyl)amino]benzoate Traditional Name: 4-chloro-3-[(2-piperazinoacetyl)amino]benzoic acid methyl ester Formula: C14H18ClN3O3 MolecularWeight: 311.76402

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCNCC2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCNCC2

InChI

InChI=1S/C14H18ClN3O3/c1-21-14(20)10-2-3-11(15)12(8-10)17-13(19)9-18-6-4-16-5-7-18/h2-3,8,16H,4-7,9H2,1H3,(H,17,19)