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

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 3-chloranylaniline; N-(4-methanoylphenyl)ethanamide Openeye Name: 3-chloroaniline; 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide CAS Name: 3-chloroaniline; 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide IUPAC Name: 3-chloroaniline; 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide Traditional Name: (3-chlorophenyl)amine; 2,6-diaminohexanoic acid; N-(4-formylphenyl)acetamide Formula: C21H29ClN4O4 MolecularWeight: 436.93236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO2.C6H6ClN.C6H14N2O2/c1-7(12)10-9-4-2-8(6-11)3-5-9;7-5-2-1-3-6(8)4-5;7-4-2-1-3-5(8)6(9)10/h2-6H,1H3,(H,10,12);1-4H,8H2;5H,1-4,7-8H2,(H,9,10)