N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-3,4,5-triethoxy-benzamide Openeye Name: 3,4,5-triethoxy-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3,4,5-triethoxybenzamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-3,4,5-triethoxybenzamide Traditional Name: 3,4,5-triethoxy-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)benzamide Formula: C28H38N2O6 MolecularWeight: 498.61112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC(C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)CC(C)C

InChI

InChI=1S/C28H38N2O6/c1-8-33-23-13-19(14-24(34-9-2)25(23)35-10-3)26(31)29-20-11-12-21-22(15-20)36-17-28(6,7)27(32)30(21)16-18(4)5/h11-15,18H,8-10,16-17H2,1-7H3,(H,29,31)