3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[6-[3-(2-pyridylamino)propoxy]-1H-indol-3-yl]-3-(2-thienyl)propanoic acid CAS Name: 3-[6-[3-(2-pyridinylamino)propoxy]-1H-indol-3-yl]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[6-[3-(2-pyridylamino)propoxy]-1H-indol-3-yl]-3-(2-thienyl)propionic acid Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)NCCCOC2=CC3=C(C=C2)C(=CN3)C(CC(=O)O)C4=CC=CS4

Isomeric SMILES

C1=CC=NC(=C1)NCCCOC2=CC3=C(C=C2)C(=CN3)C(CC(=O)O)C4=CC=CS4

InChI

InChI=1S/C23H23N3O3S/c27-23(28)14-18(21-5-3-12-30-21)19-15-26-20-13-16(7-8-17(19)20)29-11-4-10-25-22-6-1-2-9-24-22/h1-3,5-9,12-13,15,18,26H,4,10-11,14H2,(H,24,25)(H,27,28)