1H-indole; 3-[3-(propan-2-ylamino)pyridin-2-yl]oxypropanoic acid

Systemtic Name: 1H-indole; 3-[3-(propan-2-ylamino)pyridin-2-yl]oxypropanoic acid Openeye Name: indole; 3-[[3-(isopropylamino)-2-pyridyl]oxy]propanoic acid CAS Name: 1H-indole; 3-[[3-(propan-2-ylamino)-2-pyridinyl]oxy]propanoic acid IUPAC Name: 1H-indole; 3-[3-(propan-2-ylamino)pyridin-2-yl]oxypropanoic acid Traditional Name: indole; 3-[[3-(isopropylamino)-2-pyridyl]oxy]propionic acid Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(N=CC=C1)OCCC(=O)O.C1=CC=C2C(=C1)C=CN2

Isomeric SMILES

CC(C)NC1=C(N=CC=C1)OCCC(=O)O.C1=CC=C2C(=C1)C=CN2

InChI

InChI=1S/C11H16N2O3.C8H7N/c1-8(2)13-9-4-3-6-12-11(9)16-7-5-10(14)15;1-2-4-8-7(3-1)5-6-9-8/h3-4,6,8,13H,5,7H2,1-2H3,(H,14,15);1-6,9H