3-(4-ethoxyphenyl)-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid

Systemtic Name: 3-(4-ethoxyphenyl)-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid Openeye Name: 3-(4-ethoxyphenyl)-3-[6-[3-(2-pyridylamino)propoxy]-1H-indol-3-yl]propanoic acid CAS Name: 3-(4-ethoxyphenyl)-3-[6-[3-(2-pyridinylamino)propoxy]-1H-indol-3-yl]propanoic acid IUPAC Name: 3-(4-ethoxyphenyl)-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid Traditional Name: 3-p-phenetyl-3-[6-[3-(2-pyridylamino)propoxy]-1H-indol-3-yl]propionic acid Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=CC=CC=N4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=CC=CC=N4

InChI

InChI=1S/C27H29N3O4/c1-2-33-20-9-7-19(8-10-20)23(17-27(31)32)24-18-30-25-16-21(11-12-22(24)25)34-15-5-14-29-26-6-3-4-13-28-26/h3-4,6-13,16,18,23,30H,2,5,14-15,17H2,1H3,(H,28,29)(H,31,32)