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

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 4-phenylbenzaldehyde; 2-phenylethanamine Openeye Name: 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde; 2-phenylethanamine CAS Name: 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde; 2-phenylethanamine IUPAC Name: 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde; 2-phenylethanamine Traditional Name: 2,6-diaminohexanoic acid; phenethylamine; 4-phenylbenzaldehyde Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C13H10O.C8H11N.C6H14N2O2/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;9-7-6-8-4-2-1-3-5-8;7-4-2-1-3-5(8)6(9)10/h1-10H;1-5H,6-7,9H2;5H,1-4,7-8H2,(H,9,10)