2,6-bis(azanyl)hexanoic acid; 3-ethoxyaniline; N-(4-methanoylphenyl)ethanamide

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 3-ethoxyaniline; N-(4-methanoylphenyl)ethanamide Openeye Name: 2,6-diaminohexanoic acid; 3-ethoxyaniline; N-(4-formylphenyl)acetamide CAS Name: 2,6-diaminohexanoic acid; 3-ethoxyaniline; N-(4-formylphenyl)acetamide IUPAC Name: 2,6-diaminohexanoic acid; 3-ethoxyaniline; N-(4-formylphenyl)acetamide Traditional Name: 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide; m-phenetidine Formula: C23H34N4O5 MolecularWeight: 446.53986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N.CC(=O)NC1=CC=C(C=C1)C=O.C(CCN)CC(C(=O)O)N

Isomeric SMILES

CCOC1=CC=CC(=C1)N.CC(=O)NC1=CC=C(C=C1)C=O.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C9H9NO2.C8H11NO.C6H14N2O2/c1-7(12)10-9-4-2-8(6-11)3-5-9;1-2-10-8-5-3-4-7(9)6-8;7-4-2-1-3-5(8)6(9)10/h2-6H,1H3,(H,10,12);3-6H,2,9H2,1H3;5H,1-4,7-8H2,(H,9,10)