phenyl N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)carbamate

Systemtic Name: phenyl N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)carbamate Openeye Name: phenyl N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)carbamate CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)carbamic acid phenyl ester IUPAC Name: phenyl N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)carbamate Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)carbamic acid phenyl ester Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)OC3=CC=CC=C3)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)OC3=CC=CC=C3)N(C1=O)CC=C)C

InChI

InChI=1S/C21H22N2O4/c1-4-12-23-17-13-15(22-20(25)27-16-8-6-5-7-9-16)10-11-18(17)26-14-21(2,3)19(23)24/h4-11,13H,1,12,14H2,2-3H3,(H,22,25)