methyl 3-[(8-chloranyl-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)carbonyl]benzoate

Systemtic Name: methyl 3-[(8-chloranyl-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)carbonyl]benzoate Openeye Name: methyl 3-(8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)benzoate CAS Name: 3-[(8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)benzoate Traditional Name: 3-(8-chloro-2-ethyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl)benzoic acid methyl ester Formula: C20H20ClNO4 MolecularWeight: 373.8301

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CC2=C(O1)C=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CCC1CN(CC2=C(O1)C=C(C=C2)Cl)C(=O)C3=CC(=CC=C3)C(=O)OC

InChI

InChI=1S/C20H20ClNO4/c1-3-17-12-22(11-15-7-8-16(21)10-18(15)26-17)19(23)13-5-4-6-14(9-13)20(24)25-2/h4-10,17H,3,11-12H2,1-2H3