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

Systemtic Name: methyl 4-[(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoate CAS Name: 4-[oxo-[(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoate Traditional Name: 4-[(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoic acid methyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)OC)N(C1=O)C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)OC)N(C1=O)C)C

InChI

InChI=1S/C21H22N2O5/c1-21(2)12-28-17-11-15(9-10-16(17)23(3)20(21)26)22-18(24)13-5-7-14(8-6-13)19(25)27-4/h5-11H,12H2,1-4H3,(H,22,24)