2-azanylethanoic acid; 3-[3,4-bis(chloranyl)phenoxy]benzaldehyde; cyclohexanamine

Systemtic Name: 2-azanylethanoic acid; 3-[3,4-bis(chloranyl)phenoxy]benzaldehyde; cyclohexanamine Openeye Name: 2-aminoacetic acid; cyclohexanamine; 3-(3,4-dichlorophenoxy)benzaldehyde CAS Name: 2-aminoacetic acid; cyclohexanamine; 3-(3,4-dichlorophenoxy)benzaldehyde IUPAC Name: 2-aminoacetic acid; cyclohexanamine; 3-(3,4-dichlorophenoxy)benzaldehyde Traditional Name: 2-aminoacetic acid; cyclohexylamine; 3-(3,4-dichlorophenoxy)benzaldehyde Formula: C21H26Cl2N2O4 MolecularWeight: 441.34814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N.C1=CC(=CC(=C1)OC2=CC(=C(C=C2)Cl)Cl)C=O.C(C(=O)O)N

Isomeric SMILES

C1CCC(CC1)N.C1=CC(=CC(=C1)OC2=CC(=C(C=C2)Cl)Cl)C=O.C(C(=O)O)N

InChI

InChI=1S/C13H8Cl2O2.C6H13N.C2H5NO2/c14-12-5-4-11(7-13(12)15)17-10-3-1-2-9(6-10)8-16;7-6-4-2-1-3-5-6;3-1-2(4)5/h1-8H;6H,1-5,7H2;1,3H2,(H,4,5)