2,6-bis(azanyl)hexanoic acid; 4-phenylbenzaldehyde; prop-2-en-1-amine

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 4-phenylbenzaldehyde; prop-2-en-1-amine Openeye Name: 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde; prop-2-en-1-amine CAS Name: 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde; 2-propen-1-amine IUPAC Name: 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde; prop-2-en-1-amine Traditional Name: allylamine; 2,6-diaminohexanoic acid; 4-phenylbenzaldehyde Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10O.C6H14N2O2.C3H7N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;7-4-2-1-3-5(8)6(9)10;1-2-3-4/h1-10H;5H,1-4,7-8H2,(H,9,10);2H,1,3-4H2