(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C18H17Cl2NO5 MolecularWeight: 398.23728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3)Cl)N

InChI

InChI=1S/C18H17Cl2NO5/c1-23-15-8-14(21)12(19)7-11(15)18(22)26-9-10-5-13(20)17-16(6-10)24-3-2-4-25-17/h5-8H,2-4,9,21H2,1H3