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

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-[(phenylmethyl)carbamoylamino]ethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(benzylcarbamoylamino)acetate CAS Name: 2-[[oxo-[(phenylmethyl)amino]methyl]amino]acetic 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 2-(benzylcarbamoylamino)acetate Traditional Name: 2-(benzylcarbamoylamino)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)COC(=O)CNC(=O)NCC3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)COC(=O)CNC(=O)NCC3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C20H21ClN2O5/c21-16-9-15(10-17-19(16)27-8-4-7-26-17)13-28-18(24)12-23-20(25)22-11-14-5-2-1-3-6-14/h1-3,5-6,9-10H,4,7-8,11-13H2,(H2,22,23,25)