tert-butyl N-[3-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbamoyl]phenyl]carbamate CAS Name: N-[3-[[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)amino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbamoyl]phenyl]carbamate Traditional Name: N-[3-[(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C21H23ClN2O5 MolecularWeight: 418.87072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3

InChI

InChI=1S/C21H23ClN2O5/c1-21(2,3)29-20(26)23-14-7-4-6-13(10-14)19(25)24-16-12-18-17(11-15(16)22)27-8-5-9-28-18/h4,6-7,10-12H,5,8-9H2,1-3H3,(H,23,26)(H,24,25)