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

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; N-ethylethanamine; 4-phenylbenzaldehyde Openeye Name: 2,6-diaminohexanoic acid; N-ethylethanamine; 4-phenylbenzaldehyde CAS Name: 2,6-diaminohexanoic acid; N-ethylethanamine; 4-phenylbenzaldehyde IUPAC Name: 2,6-diaminohexanoic acid; N-ethylethanamine; 4-phenylbenzaldehyde Traditional Name: 2,6-diaminohexanoic acid; diethylamine; 4-phenylbenzaldehyde Formula: C23H35N3O3 MolecularWeight: 401.5423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10O.C6H14N2O2.C4H11N/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;1-3-5-4-2/h1-10H;5H,1-4,7-8H2,(H,9,10);5H,3-4H2,1-2H3