2-[2-[[4-(1H-indol-2-ylcarbonylamino)phenyl]methyl]pyrimidin-5-yl]ethanoic acid

Systemtic Name: 2-[2-[[4-(1H-indol-2-ylcarbonylamino)phenyl]methyl]pyrimidin-5-yl]ethanoic acid Openeye Name: 2-[2-[[4-(1H-indole-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid CAS Name: 2-[2-[[4-[[1H-indol-2-yl(oxo)methyl]amino]phenyl]methyl]-5-pyrimidinyl]acetic acid IUPAC Name: 2-[2-[[4-(1H-indole-2-carbonylamino)phenyl]methyl]pyrimidin-5-yl]acetic acid Traditional Name: 2-[2-[4-(1H-indole-2-carbonylamino)benzyl]pyrimidin-5-yl]acetic acid Formula: C22H18N4O3 MolecularWeight: 386.40332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N2)C(=O)NC3=CC=C(C=C3)CC4=NC=C(C=N4)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N2)C(=O)NC3=CC=C(C=C3)CC4=NC=C(C=N4)CC(=O)O

InChI

InChI=1S/C22H18N4O3/c27-21(28)10-15-12-23-20(24-13-15)9-14-5-7-17(8-6-14)25-22(29)19-11-16-3-1-2-4-18(16)26-19/h1-8,11-13,26H,9-10H2,(H,25,29)(H,27,28)