2-[2-(aminomethyl)-4-chloranyl-phenoxy]butanamide; tert-butyl N-[[2-(1-azanyl-1-oxidanylidene-butan-2-yl)oxy-5-chloranyl-phenyl]methyl]carbamate

Systemtic Name: 2-[2-(aminomethyl)-4-chloranyl-phenoxy]butanamide; tert-butyl N-[[2-(1-azanyl-1-oxidanylidene-butan-2-yl)oxy-5-chloranyl-phenyl]methyl]carbamate Openeye Name: 2-[2-(aminomethyl)-4-chloro-phenoxy]butanamide; tert-butyl N-[[2-(1-carbamoylpropoxy)-5-chloro-phenyl]methyl]carbamate CAS Name: 2-[2-(aminomethyl)-4-chlorophenoxy]butanamide; N-[[2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorophenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: 2-[2-(aminomethyl)-4-chlorophenoxy]butanamide; tert-butyl N-[[2-(1-amino-1-oxobutan-2-yl)oxy-5-chlorophenyl]methyl]carbamate Traditional Name: 2-[2-(aminomethyl)-4-chloro-phenoxy]butyramide; N-[2-(1-carbamoylpropoxy)-5-chloro-benzyl]carbamic acid tert-butyl ester Formula: C27H38Cl2N4O6 MolecularWeight: 585.51982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)OC1=C(C=C(C=C1)Cl)CN.CCC(C(=O)N)OC1=C(C=C(C=C1)Cl)CNC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C(=O)N)OC1=C(C=C(C=C1)Cl)CN.CCC(C(=O)N)OC1=C(C=C(C=C1)Cl)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C16H23ClN2O4.C11H15ClN2O2/c1-5-12(14(18)20)22-13-7-6-11(17)8-10(13)9-19-15(21)23-16(2,3)4;1-2-9(11(14)15)16-10-4-3-8(12)5-7(10)6-13/h6-8,12H,5,9H2,1-4H3,(H2,18,20)(H,19,21);3-5,9H,2,6,13H2,1H3,(H2,14,15)