4-[(1S)-1-[[5-chloranyl-2-(3-methylphenoxy)phenyl]carbonylamino]ethyl]benzoic acid

Systemtic Name: 4-[(1S)-1-[[5-chloranyl-2-(3-methylphenoxy)phenyl]carbonylamino]ethyl]benzoic acid Openeye Name: 4-[(1S)-1-[[5-chloro-2-(3-methylphenoxy)benzoyl]amino]ethyl]benzoic acid CAS Name: 4-[(1S)-1-[[[5-chloro-2-(3-methylphenoxy)phenyl]-oxomethyl]amino]ethyl]benzoic acid IUPAC Name: 4-[(1S)-1-[[5-chloro-2-(3-methylphenoxy)benzoyl]amino]ethyl]benzoic acid Traditional Name: 4-[(1S)-1-[[5-chloro-2-(3-methylphenoxy)benzoyl]amino]ethyl]benzoic acid Formula: C23H20ClNO4 MolecularWeight: 409.8622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)Cl)C(=O)NC(C)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OC2=C(C=C(C=C2)Cl)C(=O)N[C@@H](C)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C23H20ClNO4/c1-14-4-3-5-19(12-14)29-21-11-10-18(24)13-20(21)22(26)25-15(2)16-6-8-17(9-7-16)23(27)28/h3-13,15H,1-2H3,(H,25,26)(H,27,28)/t15-/m0/s1