methyl 4-[(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoate CAS Name: 4-[[(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoate Traditional Name: 4-[(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoic acid methyl ester Formula: C22H24N2O5 MolecularWeight: 396.43636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)OC)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)OC)OCC(C1=O)(C)C

InChI

InChI=1S/C22H24N2O5/c1-5-24-17-11-10-16(12-18(17)29-13-22(2,3)21(24)27)23-19(25)14-6-8-15(9-7-14)20(26)28-4/h6-12H,5,13H2,1-4H3,(H,23,25)