N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3,4-diethoxy-benzamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-3,4-diethoxy-benzamide Openeye Name: 3,4-diethoxy-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3,4-diethoxybenzamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-3,4-diethoxybenzamide Traditional Name: 3,4-diethoxy-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)benzamide Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)OCC(C(=O)N3CCC(C)C)(C)C)OCC

InChI

InChI=1S/C27H36N2O5/c1-7-32-23-11-9-19(15-24(23)33-8-2)25(30)28-20-10-12-22-21(16-20)29(14-13-18(3)4)26(31)27(5,6)17-34-22/h9-12,15-16,18H,7-8,13-14,17H2,1-6H3,(H,28,30)