(2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-[3-(1-hydroxyethyl)-2,6-dimethoxy-phenyl]phenyl]propanoic acid

Systemtic Name: (2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-[3-(1-hydroxyethyl)-2,6-dimethoxy-phenyl]phenyl]propanoic acid Openeye Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[3-(1-hydroxyethyl)-2,6-dimethoxy-phenyl]phenyl]propanoic acid CAS Name: (2S)-2-[[(2,6-dichlorophenyl)-oxomethyl]amino]-3-[4-[3-(1-hydroxyethyl)-2,6-dimethoxyphenyl]phenyl]propanoic acid IUPAC Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[3-(1-hydroxyethyl)-2,6-dimethoxyphenyl]phenyl]propanoic acid Traditional Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[3-(1-hydroxyethyl)-2,6-dimethoxy-phenyl]phenyl]propionic acid Formula: C26H25Cl2NO6 MolecularWeight: 518.3858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=C(C=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl)OC)O

Isomeric SMILES

CC(C1=C(C(=C(C=C1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=C(C=CC=C3Cl)Cl)OC)O

InChI

InChI=1S/C26H25Cl2NO6/c1-14(30)17-11-12-21(34-2)22(24(17)35-3)16-9-7-15(8-10-16)13-20(26(32)33)29-25(31)23-18(27)5-4-6-19(23)28/h4-12,14,20,30H,13H2,1-3H3,(H,29,31)(H,32,33)/t14?,20-/m0/s1