methyl 6-azanyl-2-[2-[(3,4-dichlorophenyl)amino]propanoyl-hexanoyl-amino]hexanoate

Systemtic Name: methyl 6-azanyl-2-[2-[(3,4-dichlorophenyl)amino]propanoyl-hexanoyl-amino]hexanoate Openeye Name: methyl 6-amino-2-[2-(3,4-dichloroanilino)propanoyl-hexanoyl-amino]hexanoate CAS Name: 6-amino-2-[[2-(3,4-dichloroanilino)-1-oxopropyl]-(1-oxohexyl)amino]hexanoic acid methyl ester IUPAC Name: methyl 6-amino-2-[2-(3,4-dichloroanilino)propanoyl-hexanoylamino]hexanoate Traditional Name: 6-amino-2-[caproyl-[2-(3,4-dichloroanilino)propanoyl]amino]hexanoic acid methyl ester Formula: C22H33Cl2N3O4 MolecularWeight: 474.42112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N(C(CCCCN)C(=O)OC)C(=O)C(C)NC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CCCCCC(=O)N(C(CCCCN)C(=O)OC)C(=O)C(C)NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C22H33Cl2N3O4/c1-4-5-6-10-20(28)27(19(22(30)31-3)9-7-8-13-25)21(29)15(2)26-16-11-12-17(23)18(24)14-16/h11-12,14-15,19,26H,4-10,13,25H2,1-3H3