propan-2-yl 3-[(7-chloranyl-9-methoxy-1-benzoxepin-4-yl)carbonylamino]benzoate

Systemtic Name: propan-2-yl 3-[(7-chloranyl-9-methoxy-1-benzoxepin-4-yl)carbonylamino]benzoate Openeye Name: isopropyl 3-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate CAS Name: 3-[[(7-chloro-9-methoxy-1-benzoxepin-4-yl)-oxomethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[(7-chloro-9-methoxy-1-benzoxepine-4-carbonyl)amino]benzoate Traditional Name: 3-[(7-chloro-9-methoxy-1-benzoxepin-4-carbonyl)amino]benzoic acid isopropyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO5/c1-13(2)29-22(26)15-5-4-6-18(11-15)24-21(25)14-7-8-28-20-16(9-14)10-17(23)12-19(20)27-3/h4-13H,1-3H3,(H,24,25)