6-[4-[azanyl-(4-methoxyphenyl)methyl]-3-methoxy-phenyl]sulfanylhexanoic acid

Systemtic Name: 6-[4-[azanyl-(4-methoxyphenyl)methyl]-3-methoxy-phenyl]sulfanylhexanoic acid Openeye Name: 6-[4-[amino-(4-methoxyphenyl)methyl]-3-methoxy-phenyl]sulfanylhexanoic acid CAS Name: 6-[[4-[amino-(4-methoxyphenyl)methyl]-3-methoxyphenyl]thio]hexanoic acid IUPAC Name: 6-[4-[amino-(4-methoxyphenyl)methyl]-3-methoxyphenyl]sulfanylhexanoic acid Traditional Name: 6-[[4-[amino-(4-methoxyphenyl)methyl]-3-methoxy-phenyl]thio]hexanoic acid Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=C(C=C(C=C2)SCCCCCC(=O)O)OC)N

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=C(C=C(C=C2)SCCCCCC(=O)O)OC)N

InChI

InChI=1S/C21H27NO4S/c1-25-16-9-7-15(8-10-16)21(22)18-12-11-17(14-19(18)26-2)27-13-5-3-4-6-20(23)24/h7-12,14,21H,3-6,13,22H2,1-2H3,(H,23,24)