[(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]azanium; 2-[3-(4-chlorophenyl)carbonyl-2-methyl-phenoxy]propanoate

Systemtic Name: [(2S)-6-azanyl-1-oxidanyl-1-oxidanylidene-hexan-2-yl]azanium; 2-[3-(4-chlorophenyl)carbonyl-2-methyl-phenoxy]propanoate Openeye Name: [(1S)-5-amino-1-carboxy-pentyl]ammonium; 2-[3-(4-chlorobenzoyl)-2-methyl-phenoxy]propanoate CAS Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]ammonium; 2-[3-[(4-chlorophenyl)-oxomethyl]-2-methylphenoxy]propanoate IUPAC Name: [(2S)-6-amino-1-hydroxy-1-oxohexan-2-yl]azanium; 2-[3-(4-chlorobenzoyl)-2-methylphenoxy]propanoate Traditional Name: [(1S)-5-amino-1-carboxy-pentyl]ammonium; 2-[3-(4-chlorobenzoyl)-2-methyl-phenoxy]propionate Formula: C23H29ClN2O6 MolecularWeight: 464.93916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1OC(C)C(=O)[O-])C(=O)C2=CC=C(C=C2)Cl.C(CCN)CC(C(=O)O)[NH3+]

Isomeric SMILES

CC1=C(C=CC=C1OC(C)C(=O)[O-])C(=O)C2=CC=C(C=C2)Cl.C(CCN)C[C@@H](C(=O)O)[NH3+]

InChI

InChI=1S/C17H15ClO4.C6H14N2O2/c1-10-14(16(19)12-6-8-13(18)9-7-12)4-3-5-15(10)22-11(2)17(20)21;7-4-2-1-3-5(8)6(9)10/h3-9,11H,1-2H3,(H,20,21);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1