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

Systemtic Name: 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]methylamino]-3-phenyl-propanoic acid CAS Name: 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methylamino]-3-phenylpropanoic acid Traditional Name: 2-[[5,6-dimethoxy-3-(4-methoxyphenoxy)benzothiophen-2-yl]methylamino]-3-phenyl-propionic acid Formula: C27H27NO6S MolecularWeight: 493.57138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)CNC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)OC2=C(SC3=CC(=C(C=C32)OC)OC)CNC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H27NO6S/c1-31-18-9-11-19(12-10-18)34-26-20-14-22(32-2)23(33-3)15-24(20)35-25(26)16-28-21(27(29)30)13-17-7-5-4-6-8-17/h4-12,14-15,21,28H,13,16H2,1-3H3,(H,29,30)