tert-butyl N-[[3-[2-(4-azanylbutanoylamino)-5-chloranyl-phenoxy]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[3-[2-(4-azanylbutanoylamino)-5-chloranyl-phenoxy]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[3-[2-(4-aminobutanoylamino)-5-chloro-phenoxy]phenyl]methyl]carbamate CAS Name: N-[[3-[2-[(4-amino-1-oxobutyl)amino]-5-chlorophenoxy]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[3-[2-(4-aminobutanoylamino)-5-chlorophenoxy]phenyl]methyl]carbamate Traditional Name: N-[3-[2-(4-aminobutanoylamino)-5-chloro-phenoxy]benzyl]carbamic acid tert-butyl ester Formula: C22H28ClN3O4 MolecularWeight: 433.92842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)OC2=C(C=CC(=C2)Cl)NC(=O)CCCN

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)OC2=C(C=CC(=C2)Cl)NC(=O)CCCN

InChI

InChI=1S/C22H28ClN3O4/c1-22(2,3)30-21(28)25-14-15-6-4-7-17(12-15)29-19-13-16(23)9-10-18(19)26-20(27)8-5-11-24/h4,6-7,9-10,12-13H,5,8,11,14,24H2,1-3H3,(H,25,28)(H,26,27)