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

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C17H23ClN2O4 MolecularWeight: 354.82852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=C(C=C2OC)N)Cl

Isomeric SMILES

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC(=C(C=C2OC)N)Cl

InChI

InChI=1S/C17H23ClN2O4/c1-11(16(21)20-7-5-3-4-6-8-20)24-17(22)12-9-13(18)14(19)10-15(12)23-2/h9-11H,3-8,19H2,1-2H3