(2S)-2-[(4-octoxyphenyl)methylamino]propanoic acid

Systemtic Name: (2S)-2-[(4-octoxyphenyl)methylamino]propanoic acid Openeye Name: (2S)-2-[(4-octoxyphenyl)methylamino]propanoic acid CAS Name: (2S)-2-[(4-octoxyphenyl)methylamino]propanoic acid IUPAC Name: (2S)-2-[(4-octoxyphenyl)methylamino]propanoic acid Traditional Name: (2S)-2-[(4-octoxybenzyl)amino]propionic acid Formula: C18H29NO3 MolecularWeight: 307.42776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)CNC(C)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)CN[C@@H](C)C(=O)O

InChI

InChI=1S/C18H29NO3/c1-3-4-5-6-7-8-13-22-17-11-9-16(10-12-17)14-19-15(2)18(20)21/h9-12,15,19H,3-8,13-14H2,1-2H3,(H,20,21)/t15-/m0/s1