2-(azepan-1-yl)ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 2-(azepan-1-yl)ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 2-(azepan-1-yl)ethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-(1-azepanyl)ethyl ester IUPAC Name: 2-(azepan-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-(azepan-1-yl)ethyl ester Formula: C16H23ClN2O3 MolecularWeight: 326.81842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCCN2CCCCCC2)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCCN2CCCCCC2)Cl)N

InChI

InChI=1S/C16H23ClN2O3/c1-21-15-11-14(18)13(17)10-12(15)16(20)22-9-8-19-6-4-2-3-5-7-19/h10-11H,2-9,18H2,1H3