[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate CAS Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate Traditional Name: 2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O6/c1-12-20(14(3)24)13(2)22-21(12)16(25)11-29-19(27)10-23-15-6-4-5-7-17(15)28-9-8-18(23)26/h4-7,22H,8-11H2,1-3H3