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

Systemtic Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-pyridin-4-yl-propanoic acid Openeye Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-(4-pyridyl)propanoic acid CAS Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-pyridin-4-ylpropanoic acid IUPAC Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-pyridin-4-ylpropanoic acid Traditional Name: 3-[6-[3-(1H-imidazol-2-ylamino)propoxy]-1H-indol-3-yl]-3-(4-pyridyl)propionic acid Formula: C22H23N5O3 MolecularWeight: 405.44972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OCCCNC3=NC=CN3)NC=C2C(CC(=O)O)C4=CC=NC=C4

Isomeric SMILES

C1=CC2=C(C=C1OCCCNC3=NC=CN3)NC=C2C(CC(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C22H23N5O3/c28-21(29)13-18(15-4-7-23-8-5-15)19-14-27-20-12-16(2-3-17(19)20)30-11-1-6-24-22-25-9-10-26-22/h2-5,7-10,12,14,18,27H,1,6,11,13H2,(H,28,29)(H2,24,25,26)