3-[3-(1H-indol-5-yl)-4-(thiophen-2-ylmethoxy)phenyl]propanoic acid

Systemtic Name: 3-[3-(1H-indol-5-yl)-4-(thiophen-2-ylmethoxy)phenyl]propanoic acid Openeye Name: 3-[3-(1H-indol-5-yl)-4-(2-thienylmethoxy)phenyl]propanoic acid CAS Name: 3-[3-(1H-indol-5-yl)-4-(thiophen-2-ylmethoxy)phenyl]propanoic acid IUPAC Name: 3-[3-(1H-indol-5-yl)-4-(thiophen-2-ylmethoxy)phenyl]propanoic acid Traditional Name: 3-[3-(1H-indol-5-yl)-4-(2-thenyloxy)phenyl]propionic acid Formula: C22H19NO3S MolecularWeight: 377.45616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)COC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)NC=C4

Isomeric SMILES

C1=CSC(=C1)COC2=C(C=C(C=C2)CCC(=O)O)C3=CC4=C(C=C3)NC=C4

InChI

InChI=1S/C22H19NO3S/c24-22(25)8-4-15-3-7-21(26-14-18-2-1-11-27-18)19(12-15)16-5-6-20-17(13-16)9-10-23-20/h1-3,5-7,9-13,23H,4,8,14H2,(H,24,25)