5-benzamido-8-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(4-hydroxyphenyl)methyl]-4-oxidanylidene-octanoic acid

Systemtic Name: 5-benzamido-8-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(4-hydroxyphenyl)methyl]-4-oxidanylidene-octanoic acid Openeye Name: 5-benzamido-8-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(4-hydroxyphenyl)methyl]-4-oxo-octanoic acid CAS Name: 5-benzamido-8-[(4,6-dimethyl-2-pyrimidinyl)amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid IUPAC Name: 5-benzamido-8-[(4,6-dimethylpyrimidin-2-yl)amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid Traditional Name: 5-benzamido-8-[(4,6-dimethylpyrimidin-2-yl)amino]-2-(4-hydroxybenzyl)-4-keto-caprylic acid Formula: C28H32N4O5 MolecularWeight: 504.57748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NCCCC(C(=O)CC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NCCCC(C(=O)CC(CC2=CC=C(C=C2)O)C(=O)O)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C28H32N4O5/c1-18-15-19(2)31-28(30-18)29-14-6-9-24(32-26(35)21-7-4-3-5-8-21)25(34)17-22(27(36)37)16-20-10-12-23(33)13-11-20/h3-5,7-8,10-13,15,22,24,33H,6,9,14,16-17H2,1-2H3,(H,32,35)(H,36,37)(H,29,30,31)