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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C16H21ClN2O4 MolecularWeight: 340.80194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)N2CCCCCC2)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)N2CCCCCC2)Cl)N

InChI

InChI=1S/C16H21ClN2O4/c1-22-14-9-13(18)12(17)8-11(14)16(21)23-10-15(20)19-6-4-2-3-5-7-19/h8-9H,2-7,10,18H2,1H3