2,6-bis(azanyl)hexanoic acid; (4-chlorophenyl)methanamine; 4-phenylbenzaldehyde

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; (4-chlorophenyl)methanamine; 4-phenylbenzaldehyde Openeye Name: (4-chlorophenyl)methanamine; 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde CAS Name: (4-chlorophenyl)methanamine; 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde IUPAC Name: (4-chlorophenyl)methanamine; 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde Traditional Name: (4-chlorobenzyl)amine; 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde Formula: C26H32ClN3O3 MolecularWeight: 470.00358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C=O.C1=CC(=CC=C1CN)Cl.C(CCN)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C=O.C1=CC(=CC=C1CN)Cl.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C13H10O.C7H8ClN.C6H14N2O2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;8-7-3-1-6(5-9)2-4-7;7-4-2-1-3-5(8)6(9)10/h1-10H;1-4H,5,9H2;5H,1-4,7-8H2,(H,9,10)