(2S)-2-[[4-chloranyl-3-(2-phenylethynyl)phenyl]carbonylamino]-3-cyclopropyl-propanoic acid

Systemtic Name: (2S)-2-[[4-chloranyl-3-(2-phenylethynyl)phenyl]carbonylamino]-3-cyclopropyl-propanoic acid Openeye Name: (2S)-2-[[4-chloro-3-(2-phenylethynyl)benzoyl]amino]-3-cyclopropyl-propanoic acid CAS Name: (2S)-2-[[[4-chloro-3-(2-phenylethynyl)phenyl]-oxomethyl]amino]-3-cyclopropylpropanoic acid IUPAC Name: (2S)-2-[[4-chloro-3-(2-phenylethynyl)benzoyl]amino]-3-cyclopropylpropanoic acid Traditional Name: (2S)-2-[[4-chloro-3-(2-phenylethynyl)benzoyl]amino]-3-cyclopropyl-propionic acid Formula: C21H18ClNO3 MolecularWeight: 367.82552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CC(C(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)C#CC3=CC=CC=C3

Isomeric SMILES

C1CC1C[C@@H](C(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)C#CC3=CC=CC=C3

InChI

InChI=1S/C21H18ClNO3/c22-18-11-10-17(13-16(18)9-8-14-4-2-1-3-5-14)20(24)23-19(21(25)26)12-15-6-7-15/h1-5,10-11,13,15,19H,6-7,12H2,(H,23,24)(H,25,26)/t19-/m0/s1