(3S)-3-(4-methylphenyl)-3-(2-phenoxyethanoylamino)propanoic acid

Systemtic Name: (3S)-3-(4-methylphenyl)-3-(2-phenoxyethanoylamino)propanoic acid Openeye Name: (3S)-3-[(2-phenoxyacetyl)amino]-3-(p-tolyl)propanoic acid CAS Name: (3S)-3-(4-methylphenyl)-3-[(1-oxo-2-phenoxyethyl)amino]propanoic acid IUPAC Name: (3S)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid Traditional Name: (3S)-3-[(2-phenoxyacetyl)amino]-3-(p-tolyl)propionic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)O)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CC(=O)O)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C18H19NO4/c1-13-7-9-14(10-8-13)16(11-18(21)22)19-17(20)12-23-15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,19,20)(H,21,22)/t16-/m0/s1