2-[1-[2-oxidanylidene-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-[2-oxidanylidene-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]ethanoic acid Openeye Name: 2-[1-[2-oxo-2-[[4-(2-thienyl)phenyl]methylamino]ethyl]cyclohexyl]acetic acid CAS Name: 2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid IUPAC Name: 2-[1-[2-oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid Traditional Name: 2-[1-[2-keto-2-[[4-(2-thienyl)benzyl]amino]ethyl]cyclohexyl]acetic acid Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)NCC2=CC=C(C=C2)C3=CC=CS3)CC(=O)O

Isomeric SMILES

C1CCC(CC1)(CC(=O)NCC2=CC=C(C=C2)C3=CC=CS3)CC(=O)O

InChI

InChI=1S/C21H25NO3S/c23-19(13-21(14-20(24)25)10-2-1-3-11-21)22-15-16-6-8-17(9-7-16)18-5-4-12-26-18/h4-9,12H,1-3,10-11,13-15H2,(H,22,23)(H,24,25)