4-[ethyl-[(3-methylsulfanylphenyl)-phenylmethoxy-methyl]amino]benzoic acid

Systemtic Name: 4-[ethyl-[(3-methylsulfanylphenyl)-phenylmethoxy-methyl]amino]benzoic acid Openeye Name: 4-[[benzyloxy-(3-methylsulfanylphenyl)methyl]-ethyl-amino]benzoic acid CAS Name: 4-[ethyl-[[3-(methylthio)phenyl]-phenylmethoxymethyl]amino]benzoic acid IUPAC Name: 4-[ethyl-[(3-methylsulfanylphenyl)-phenylmethoxymethyl]amino]benzoic acid Traditional Name: 4-[[benzoxy-[3-(methylthio)phenyl]methyl]-ethyl-amino]benzoic acid Formula: C24H25NO3S MolecularWeight: 407.5252

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)O)C(C2=CC(=CC=C2)SC)OCC3=CC=CC=C3

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)O)C(C2=CC(=CC=C2)SC)OCC3=CC=CC=C3

InChI

InChI=1S/C24H25NO3S/c1-3-25(21-14-12-19(13-15-21)24(26)27)23(20-10-7-11-22(16-20)29-2)28-17-18-8-5-4-6-9-18/h4-16,23H,3,17H2,1-2H3,(H,26,27)