methyl 4-[[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]carbamoyl]benzoate

Systemtic Name: methyl 4-[[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]carbamoyl]benzoate Openeye Name: methyl 4-[(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)carbamoyl]benzoate CAS Name: 4-[[[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]carbamoyl]benzoate Traditional Name: 4-[(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)carbamoyl]benzoic acid methyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O5/c1-16(2)12-13-27-20-14-19(10-11-21(20)32-15-25(3,4)24(27)30)26-22(28)17-6-8-18(9-7-17)23(29)31-5/h6-11,14,16H,12-13,15H2,1-5H3,(H,26,28)