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

Systemtic Name: methyl 4-[(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoate Openeye Name: methyl 4-[(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoate CAS Name: 4-[[(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoate Traditional Name: 4-[(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)carbamoyl]benzoic acid methyl ester Formula: C23H24N2O5 MolecularWeight: 408.44706

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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)CC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O5/c1-5-12-25-18-11-10-17(13-19(18)30-14-23(2,3)22(25)28)24-20(26)15-6-8-16(9-7-15)21(27)29-4/h5-11,13H,1,12,14H2,2-4H3,(H,24,26)