(2S)-3-(4-pentoxyphenyl)-2-(pyridin-3-ylcarbonylamino)propanoic acid

Systemtic Name: (2S)-3-(4-pentoxyphenyl)-2-(pyridin-3-ylcarbonylamino)propanoic acid Openeye Name: (2S)-3-(4-pentoxyphenyl)-2-(pyridine-3-carbonylamino)propanoic acid CAS Name: (2S)-2-[[oxo(3-pyridinyl)methyl]amino]-3-(4-pentoxyphenyl)propanoic acid IUPAC Name: (2S)-3-(4-pentoxyphenyl)-2-(pyridine-3-carbonylamino)propanoic acid Traditional Name: (2S)-3-(4-amoxyphenyl)-2-nicotinamido-propionic acid Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C20H24N2O4/c1-2-3-4-12-26-17-9-7-15(8-10-17)13-18(20(24)25)22-19(23)16-6-5-11-21-14-16/h5-11,14,18H,2-4,12-13H2,1H3,(H,22,23)(H,24,25)/t18-/m0/s1