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

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 4-chloranylaniline; 4-phenylbenzaldehyde Openeye Name: 4-chloroaniline; 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde CAS Name: 4-chloroaniline; 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde IUPAC Name: 4-chloroaniline; 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde Traditional Name: (4-chlorophenyl)amine; 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde Formula: C25H30ClN3O3 MolecularWeight: 455.977

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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=C1N)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=C1N)Cl.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C13H10O.C6H6ClN.C6H14N2O2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;7-5-1-3-6(8)4-2-5;7-4-2-1-3-5(8)6(9)10/h1-10H;1-4H,8H2;5H,1-4,7-8H2,(H,9,10)