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

Systemtic Name: butyl 4-[(7-chloranyl-9-methoxy-1-benzoxepin-4-yl)carbonylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C23H22ClNO5 MolecularWeight: 427.87748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO5/c1-3-4-10-30-23(27)15-5-7-19(8-6-15)25-22(26)16-9-11-29-21-17(12-16)13-18(24)14-20(21)28-2/h5-9,11-14H,3-4,10H2,1-2H3,(H,25,26)