3-(1H-indol-3-yl)-2-[(3-pyrimidin-2-yloxyphenyl)methylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(3-pyrimidin-2-yloxyphenyl)methylamino]propanoic acid Openeye Name: 3-(1H-indol-3-yl)-2-[(3-pyrimidin-2-yloxyphenyl)methylamino]propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[3-(2-pyrimidinyloxy)phenyl]methylamino]propanoic acid IUPAC Name: 3-(1H-indol-3-yl)-2-[(3-pyrimidin-2-yloxyphenyl)methylamino]propanoic acid Traditional Name: 3-(1H-indol-3-yl)-2-[[3-(2-pyrimidyloxy)benzyl]amino]propionic acid Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NCC3=CC(=CC=C3)OC4=NC=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NCC3=CC(=CC=C3)OC4=NC=CC=N4

InChI

InChI=1S/C22H20N4O3/c27-21(28)20(12-16-14-26-19-8-2-1-7-18(16)19)25-13-15-5-3-6-17(11-15)29-22-23-9-4-10-24-22/h1-11,14,20,25-26H,12-13H2,(H,27,28)