ethyl 4-[(7-chloranyl-9-methoxy-1-benzoxepin-4-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(7-chloranyl-9-methoxy-1-benzoxepin-4-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate CAS Name: 4-[[(7-chloro-9-methoxy-1-benzoxepin-4-yl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate Traditional Name: 4-[(7-chloro-9-methoxy-1-benzoxepin-4-carbonyl)amino]benzoic acid ethyl ester Formula: C21H18ClNO5 MolecularWeight: 399.82432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC(=CC(=C3OC=C2)OC)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC(=CC(=C3OC=C2)OC)Cl

InChI

InChI=1S/C21H18ClNO5/c1-3-27-21(25)13-4-6-17(7-5-13)23-20(24)14-8-9-28-19-15(10-14)11-16(22)12-18(19)26-2/h4-12H,3H2,1-2H3,(H,23,24)