(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-[(4-methoxyphenyl)carbamoylamino]propanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-[(4-methoxyphenyl)carbamoylamino]propanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 3-[(4-methoxyphenyl)carbamoylamino]propanoate CAS Name: 3-[[(4-methoxyanilino)-oxomethyl]amino]propanoic 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 3-[(4-methoxyphenyl)carbamoylamino]propanoate Traditional Name: 3-[(4-methoxyphenyl)carbamoylamino]propionic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C21H23ClN2O6 MolecularWeight: 434.87012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NCCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NCCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C21H23ClN2O6/c1-27-16-5-3-15(4-6-16)24-21(26)23-8-7-19(25)30-13-14-11-17(22)20-18(12-14)28-9-2-10-29-20/h3-6,11-12H,2,7-10,13H2,1H3,(H2,23,24,26)