ethyl N-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]phenyl]carbamate

Systemtic Name: ethyl N-[4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]phenyl]carbamate Openeye Name: ethyl N-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]phenyl]carbamate CAS Name: N-[4-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylamino]-oxomethyl]phenyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]phenyl]carbamate Traditional Name: N-[4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylcarbamoyl]phenyl]carbamic acid ethyl ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C(=O)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C20H21ClN2O5/c1-2-26-20(25)23-15-6-4-14(5-7-15)19(24)22-12-13-10-16(21)18-17(11-13)27-8-3-9-28-18/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,22,24)(H,23,25)