(1,4-dimethyl-1,4-diazepan-6-yl) 4-azanyl-5-chloranyl-2-ethoxy-benzoate

Systemtic Name: (1,4-dimethyl-1,4-diazepan-6-yl) 4-azanyl-5-chloranyl-2-ethoxy-benzoate Openeye Name: (1,4-dimethyl-1,4-diazepan-6-yl) 4-amino-5-chloro-2-ethoxy-benzoate CAS Name: 4-amino-5-chloro-2-ethoxybenzoic acid (1,4-dimethyl-1,4-diazepan-6-yl) ester IUPAC Name: (1,4-dimethyl-1,4-diazepan-6-yl) 4-amino-5-chloro-2-ethoxybenzoate Traditional Name: 4-amino-5-chloro-2-ethoxy-benzoic acid (1,4-dimethyl-1,4-diazepan-6-yl) ester Formula: C16H24ClN3O3 MolecularWeight: 341.83306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1C(=O)OC2CN(CCN(C2)C)C)Cl)N

Isomeric SMILES

CCOC1=CC(=C(C=C1C(=O)OC2CN(CCN(C2)C)C)Cl)N

InChI

InChI=1S/C16H24ClN3O3/c1-4-22-15-8-14(18)13(17)7-12(15)16(21)23-11-9-19(2)5-6-20(3)10-11/h7-8,11H,4-6,9-10,18H2,1-3H3