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

Systemtic Name: propyl 4-[(7-chloranyl-9-methoxy-1-benzoxepin-4-yl)carbonylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C22H20ClNO5 MolecularWeight: 413.8509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClNO5/c1-3-9-29-22(26)14-4-6-18(7-5-14)24-21(25)15-8-10-28-20-16(11-15)12-17(23)13-19(20)27-2/h4-8,10-13H,3,9H2,1-2H3,(H,24,25)