2-[[4-(1,2-dihydroacenaphthylen-5-yl)-6-propan-2-yl-pyrimidin-2-yl]amino]propanoic acid

Systemtic Name: 2-[[4-(1,2-dihydroacenaphthylen-5-yl)-6-propan-2-yl-pyrimidin-2-yl]amino]propanoic acid Openeye Name: 2-[[4-(1,2-dihydroacenaphthylen-5-yl)-6-isopropyl-pyrimidin-2-yl]amino]propanoic acid CAS Name: 2-[[4-(1,2-dihydroacenaphthylen-5-yl)-6-propan-2-yl-2-pyrimidinyl]amino]propanoic acid IUPAC Name: 2-[[4-(1,2-dihydroacenaphthylen-5-yl)-6-propan-2-ylpyrimidin-2-yl]amino]propanoic acid Traditional Name: 2-[(4-acenaphthen-5-yl-6-isopropyl-pyrimidin-2-yl)amino]propionic acid Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NC(=C1)C2=C3C=CC=C4C3=C(CC4)C=C2)NC(C)C(=O)O

Isomeric SMILES

CC(C)C1=NC(=NC(=C1)C2=C3C=CC=C4C3=C(CC4)C=C2)NC(C)C(=O)O

InChI

InChI=1S/C22H23N3O2/c1-12(2)18-11-19(25-22(24-18)23-13(3)21(26)27)16-10-9-15-8-7-14-5-4-6-17(16)20(14)15/h4-6,9-13H,7-8H2,1-3H3,(H,26,27)(H,23,24,25)