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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(C=CC(=C2)Cl)OCC3=CC=CC=C3

InChI

InChI=1S/C23H20ClNO4/c1-15(17-7-9-18(10-8-17)23(27)28)25-22(26)20-13-19(24)11-12-21(20)29-14-16-5-3-2-4-6-16/h2-13,15H,14H2,1H3,(H,25,26)(H,27,28)/t15-/m0/s1