(2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-(4-cyano-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)phenyl]propanoic acid

Systemtic Name: (2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-(4-cyano-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl)phenyl]propanoic acid Openeye Name: (2S)-3-[4-(4-cyano-1-oxo-3,4-dihydroisoquinolin-2-yl)phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid CAS Name: (2S)-3-[4-(4-cyano-1-oxo-3,4-dihydroisoquinolin-2-yl)phenyl]-2-[[(2,6-dichlorophenyl)-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-[4-(4-cyano-1-oxo-3,4-dihydroisoquinolin-2-yl)phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoic acid Traditional Name: (2S)-3-[4-(4-cyano-1-keto-3,4-dihydroisoquinolin-2-yl)phenyl]-2-[(2,6-dichlorobenzoyl)amino]propionic acid Formula: C26H19Cl2N3O4 MolecularWeight: 508.35276

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl)C#N

Isomeric SMILES

C1C(C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C[C@@H](C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl)C#N

InChI

InChI=1S/C26H19Cl2N3O4/c27-20-6-3-7-21(28)23(20)24(32)30-22(26(34)35)12-15-8-10-17(11-9-15)31-14-16(13-29)18-4-1-2-5-19(18)25(31)33/h1-11,16,22H,12,14H2,(H,30,32)(H,34,35)/t16?,22-/m0/s1