(2S)-2,6-bis(azanyl)hexanoic acid; 2-[3-chloranyl-4-(cyclopropylmethoxy)phenyl]ethanoic acid

Systemtic Name: (2S)-2,6-bis(azanyl)hexanoic acid; 2-[3-chloranyl-4-(cyclopropylmethoxy)phenyl]ethanoic acid Openeye Name: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]acetic acid; (2S)-2,6-diaminohexanoic acid CAS Name: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]acetic acid; (2S)-2,6-diaminohexanoic acid IUPAC Name: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]acetic acid; (2S)-2,6-diaminohexanoic acid Traditional Name: 2-[3-chloro-4-(cyclopropylmethoxy)phenyl]acetic acid; (2S)-2,6-diaminohexanoic acid Formula: C18H27ClN2O5 MolecularWeight: 386.87038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC2=C(C=C(C=C2)CC(=O)O)Cl.C(CCN)CC(C(=O)O)N

Isomeric SMILES

C1CC1COC2=C(C=C(C=C2)CC(=O)O)Cl.C(CCN)C[C@@H](C(=O)O)N

InChI

InChI=1S/C12H13ClO3.C6H14N2O2/c13-10-5-9(6-12(14)15)3-4-11(10)16-7-8-1-2-8;7-4-2-1-3-5(8)6(9)10/h3-5,8H,1-2,6-7H2,(H,14,15);5H,1-4,7-8H2,(H,9,10)/t;5-/m.0/s1