3-[[3-(2-methoxypyridin-3-yl)-7-methyl-octanoyl]amino]-4-phenyl-benzoic acid

Systemtic Name: 3-[[3-(2-methoxypyridin-3-yl)-7-methyl-octanoyl]amino]-4-phenyl-benzoic acid Openeye Name: 3-[[3-(2-methoxy-3-pyridyl)-7-methyl-octanoyl]amino]-4-phenyl-benzoic acid CAS Name: 3-[[3-(2-methoxy-3-pyridinyl)-7-methyl-1-oxooctyl]amino]-4-phenylbenzoic acid IUPAC Name: 3-[[3-(2-methoxypyridin-3-yl)-7-methyloctanoyl]amino]-4-phenylbenzoic acid Traditional Name: 3-[[3-(2-methoxy-3-pyridyl)-7-methyl-octanoyl]amino]-4-phenyl-benzoic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2)C3=C(N=CC=C3)OC

Isomeric SMILES

CC(C)CCCC(CC(=O)NC1=C(C=CC(=C1)C(=O)O)C2=CC=CC=C2)C3=C(N=CC=C3)OC

InChI

InChI=1S/C28H32N2O4/c1-19(2)9-7-12-21(24-13-8-16-29-27(24)34-3)18-26(31)30-25-17-22(28(32)33)14-15-23(25)20-10-5-4-6-11-20/h4-6,8,10-11,13-17,19,21H,7,9,12,18H2,1-3H3,(H,30,31)(H,32,33)