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

Systemtic Name: (3S)-3-phenyl-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid Openeye Name: (3S)-3-phenyl-3-[6-[3-(2-pyridylamino)propoxy]-1H-indol-3-yl]propanoic acid CAS Name: (3S)-3-phenyl-3-[6-[3-(2-pyridinylamino)propoxy]-1H-indol-3-yl]propanoic acid IUPAC Name: (3S)-3-phenyl-3-[6-[3-(pyridin-2-ylamino)propoxy]-1H-indol-3-yl]propanoic acid Traditional Name: (3S)-3-phenyl-3-[6-[3-(2-pyridylamino)propoxy]-1H-indol-3-yl]propionic acid Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)[C@H](CC(=O)O)C2=CNC3=C2C=CC(=C3)OCCCNC4=CC=CC=N4

InChI

InChI=1S/C25H25N3O3/c29-25(30)16-21(18-7-2-1-3-8-18)22-17-28-23-15-19(10-11-20(22)23)31-14-6-13-27-24-9-4-5-12-26-24/h1-5,7-12,15,17,21,28H,6,13-14,16H2,(H,26,27)(H,29,30)/t21-/m0/s1