3-[2,5-dimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]propanoic acid

Systemtic Name: 3-[2,5-dimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]propanoic acid Openeye Name: 3-[2,5-dimethyl-3-[2-(1-phenylethylamino)thiazol-4-yl]pyrrol-1-yl]propanoic acid CAS Name: 3-[2,5-dimethyl-3-[2-(1-phenylethylamino)-4-thiazolyl]-1-pyrrolyl]propanoic acid IUPAC Name: 3-[2,5-dimethyl-3-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]propanoic acid Traditional Name: 3-[2,5-dimethyl-3-[2-(1-phenylethylamino)thiazol-4-yl]pyrrol-1-yl]propionic acid Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(=O)O)C)C2=CSC(=N2)NC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCC(=O)O)C)C2=CSC(=N2)NC(C)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S/c1-13-11-17(15(3)23(13)10-9-19(24)25)18-12-26-20(22-18)21-14(2)16-7-5-4-6-8-16/h4-8,11-12,14H,9-10H2,1-3H3,(H,21,22)(H,24,25)