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

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 4-phenylbenzaldehyde; phenylmethanamine Openeye Name: 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde; phenylmethanamine CAS Name: 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde; phenylmethanamine IUPAC Name: 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde; phenylmethanamine Traditional Name: benzylamine; 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde Formula: C26H33N3O3 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10O.C7H9N.C6H14N2O2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;8-6-7-4-2-1-3-5-7;7-4-2-1-3-5(8)6(9)10/h1-10H;1-5H,6,8H2;5H,1-4,7-8H2,(H,9,10)