methyl 3-(2-azanylpentanoylamino)-4-chloranyl-benzoate

Systemtic Name: methyl 3-(2-azanylpentanoylamino)-4-chloranyl-benzoate Openeye Name: methyl 3-(2-aminopentanoylamino)-4-chloro-benzoate CAS Name: 3-[(2-amino-1-oxopentyl)amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-(2-aminopentanoylamino)-4-chlorobenzoate Traditional Name: 3-(2-aminopentanoylamino)-4-chloro-benzoic acid methyl ester Formula: C13H17ClN2O3 MolecularWeight: 284.73868

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)N

Isomeric SMILES

CCCC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)Cl)N

InChI

InChI=1S/C13H17ClN2O3/c1-3-4-10(15)12(17)16-11-7-8(13(18)19-2)5-6-9(11)14/h5-7,10H,3-4,15H2,1-2H3,(H,16,17)