(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-[(aminocarbonylamino)methyl]benzoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-[(aminocarbonylamino)methyl]benzoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-(ureidomethyl)benzoate CAS Name: 4-[(carbamoylamino)methyl]benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 4-[(carbamoylamino)methyl]benzoate Traditional Name: 4-(ureidomethyl)benzoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClN2O5/c20-15-8-13(9-16-17(15)26-7-1-6-25-16)11-27-18(23)14-4-2-12(3-5-14)10-22-19(21)24/h2-5,8-9H,1,6-7,10-11H2,(H3,21,22,24)