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

Systemtic Name: [2-(2,5-dimethyl-1-prop-2-enyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)ethanoate Openeye Name: [2-(1-allyl-2,5-dimethyl-pyrrol-3-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-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-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-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CN2C(=O)CCOC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=C(N1CC=C)C)C(=O)COC(=O)CN2C(=O)CCOC3=CC=CC=C32

InChI

InChI=1S/C22H24N2O5/c1-4-10-23-15(2)12-17(16(23)3)19(25)14-29-22(27)13-24-18-7-5-6-8-20(18)28-11-9-21(24)26/h4-8,12H,1,9-11,13-14H2,2-3H3