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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 6-(aminocarbonylamino)hexanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 6-ureidohexanoate CAS Name: 6-(carbamoylamino)hexanoic 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 6-(carbamoylamino)hexanoate Traditional Name: 6-ureidohexanoic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C17H23ClN2O5 MolecularWeight: 370.82792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O5/c18-13-9-12(10-14-16(13)24-8-4-7-23-14)11-25-15(21)5-2-1-3-6-20-17(19)22/h9-10H,1-8,11H2,(H3,19,20,22)