4-[[6-methyl-4-oxidanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidin-2-yl]amino]benzoic acid

Systemtic Name: 4-[[6-methyl-4-oxidanylidene-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 4-[[6-methyl-4-oxo-5-(tetralin-6-ylmethyl)-1H-pyrimidin-2-yl]amino]benzoic acid CAS Name: 4-[[6-methyl-4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidin-2-yl]amino]benzoic acid IUPAC Name: 4-[[6-methyl-4-oxo-5-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)-1H-pyrimidin-2-yl]amino]benzoic acid Traditional Name: 4-[[4-keto-6-methyl-5-(tetralin-6-ylmethyl)-1H-pyrimidin-2-yl]amino]benzoic acid Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)C(=O)O)CC3=CC4=C(CCCC4)C=C3

Isomeric SMILES

CC1=C(C(=O)N=C(N1)NC2=CC=C(C=C2)C(=O)O)CC3=CC4=C(CCCC4)C=C3

InChI

InChI=1S/C23H23N3O3/c1-14-20(13-15-6-7-16-4-2-3-5-18(16)12-15)21(27)26-23(24-14)25-19-10-8-17(9-11-19)22(28)29/h6-12H,2-5,13H2,1H3,(H,28,29)(H2,24,25,26,27)