2,6-bis(azanyl)hexanoic acid; 2-(3-chlorophenyl)ethanamine; 4-phenylbenzaldehyde

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 2-(3-chlorophenyl)ethanamine; 4-phenylbenzaldehyde Openeye Name: 2-(3-chlorophenyl)ethanamine; 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde CAS Name: 2-(3-chlorophenyl)ethanamine; 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde IUPAC Name: 2-(3-chlorophenyl)ethanamine; 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde Traditional Name: 2-(3-chlorophenyl)ethylamine; 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde Formula: C27H34ClN3O3 MolecularWeight: 484.03016

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10O.C8H10ClN.C6H14N2O2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;9-8-3-1-2-7(6-8)4-5-10;7-4-2-1-3-5(8)6(9)10/h1-10H;1-3,6H,4-5,10H2;5H,1-4,7-8H2,(H,9,10)