(3-methylquinoxalin-2-yl)methyl 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetate Traditional Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)acetic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1COC(=O)CC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1COC(=O)CC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

InChI=1S/C21H19ClN2O4/c1-13-18(24-17-6-3-2-5-16(17)23-13)12-28-20(25)11-14-9-15(22)21-19(10-14)26-7-4-8-27-21/h2-3,5-6,9-10H,4,7-8,11-12H2,1H3