4-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]benzoic acid

Systemtic Name: 4-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]benzoic acid Openeye Name: 4-[[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]methylamino]benzoic acid CAS Name: 4-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]benzoic acid IUPAC Name: 4-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]benzoic acid Traditional Name: 4-[[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]methylamino]benzoic acid Formula: C25H23NO6S MolecularWeight: 465.51822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)CNC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)CNC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C25H23NO6S/c1-29-17-8-10-18(11-9-17)32-24-19-12-20(30-2)21(31-3)13-22(19)33-23(24)14-26-16-6-4-15(5-7-16)25(27)28/h4-13,26H,14H2,1-3H3,(H,27,28)