(1R,2R)-2-[4-[(3-phenylsulfanylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid

Systemtic Name: (1R,2R)-2-[4-[(3-phenylsulfanylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid Openeye Name: (1R,2R)-2-[4-[(3-phenylsulfanylphenyl)methylamino]phenyl]cyclopropanecarboxylic acid CAS Name: (1R,2R)-2-[4-[[3-(phenylthio)phenyl]methylamino]phenyl]-1-cyclopropanecarboxylic acid IUPAC Name: (1R,2R)-2-[4-[(3-phenylsulfanylphenyl)methylamino]phenyl]cyclopropane-1-carboxylic acid Traditional Name: (1R,2R)-2-[4-[[3-(phenylthio)benzyl]amino]phenyl]cyclopropanecarboxylic acid Formula: C23H21NO2S MolecularWeight: 375.48334

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1C(=O)O)C2=CC=C(C=C2)NCC3=CC(=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C1[C@H]([C@@H]1C(=O)O)C2=CC=C(C=C2)NCC3=CC(=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C23H21NO2S/c25-23(26)22-14-21(22)17-9-11-18(12-10-17)24-15-16-5-4-8-20(13-16)27-19-6-2-1-3-7-19/h1-13,21-22,24H,14-15H2,(H,25,26)/t21-,22+/m0/s1