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

Systemtic Name: propyl 4-[(7-chloranyl-1-benzoxepin-4-yl)carbonylamino]benzoate Openeye Name: propyl 4-[(7-chloro-1-benzoxepine-4-carbonyl)amino]benzoate CAS Name: 4-[[(7-chloro-1-benzoxepin-4-yl)-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(7-chloro-1-benzoxepine-4-carbonyl)amino]benzoate Traditional Name: 4-[(7-chloro-1-benzoxepin-4-carbonyl)amino]benzoic acid propyl ester Formula: C21H18ClNO4 MolecularWeight: 383.82492

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC=C2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC=C2

InChI

InChI=1S/C21H18ClNO4/c1-2-10-27-21(25)14-3-6-18(7-4-14)23-20(24)15-9-11-26-19-8-5-17(22)13-16(19)12-15/h3-9,11-13H,2,10H2,1H3,(H,23,24)