methyl 2-[(7-chloranyl-9-methoxy-1-benzoxepin-4-yl)carbonylamino]-4,5-dimethoxy-benzoate

Systemtic Name: methyl 2-[(7-chloranyl-9-methoxy-1-benzoxepin-4-yl)carbonylamino]-4,5-dimethoxy-benzoate Openeye Name: methyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-4,5-dimethoxy-benzoate CAS Name: 2-[[(7-chloro-9-methoxy-1-benzoxepin-4-yl)-oxomethyl]amino]-4,5-dimethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]-4,5-dimethoxybenzoate Traditional Name: 2-[(7-chloro-9-methoxy-1-benzoxepin-4-carbonyl)amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C22H20ClNO7 MolecularWeight: 445.8497

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)Cl)C=C(C=CO2)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC

Isomeric SMILES

COC1=C2C(=CC(=C1)Cl)C=C(C=CO2)C(=O)NC3=CC(=C(C=C3C(=O)OC)OC)OC

InChI

InChI=1S/C22H20ClNO7/c1-27-17-10-15(22(26)30-4)16(11-18(17)28-2)24-21(25)12-5-6-31-20-13(7-12)8-14(23)9-19(20)29-3/h5-11H,1-4H3,(H,24,25)