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

Systemtic Name: (4-aminocarbonylphenyl)methyl 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanoate Openeye Name: (4-carbamoylphenyl)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 (4-carbamoylphenyl)methyl ester IUPAC Name: (4-carbamoylphenyl)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 (4-carbamoylbenzyl) ester Formula: C19H18ClNO5 MolecularWeight: 375.80292

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CC(=O)OCC3=CC=C(C=C3)C(=O)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CC(=O)OCC3=CC=C(C=C3)C(=O)N)Cl)OC1

InChI

InChI=1S/C19H18ClNO5/c20-15-8-13(9-16-18(15)25-7-1-6-24-16)10-17(22)26-11-12-2-4-14(5-3-12)19(21)23/h2-5,8-9H,1,6-7,10-11H2,(H2,21,23)