methyl 3-(6-azanylhexanoylamino)-4-chloranyl-benzoate

Systemtic Name: methyl 3-(6-azanylhexanoylamino)-4-chloranyl-benzoate Openeye Name: methyl 3-(6-aminohexanoylamino)-4-chloro-benzoate CAS Name: 3-[(6-amino-1-oxohexyl)amino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-(6-aminohexanoylamino)-4-chlorobenzoate Traditional Name: 3-(6-aminohexanoylamino)-4-chloro-benzoic acid methyl ester Formula: C14H19ClN2O3 MolecularWeight: 298.76526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19ClN2O3/c1-20-14(19)10-6-7-11(15)12(9-10)17-13(18)5-3-2-4-8-16/h6-7,9H,2-5,8,16H2,1H3,(H,17,18)