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

Systemtic Name: 3-[[3-(2-methoxypyridin-3-yl)-7-methyl-octanoyl]amino]-4-(4-methylphenyl)benzoic acid Openeye Name: 3-[[3-(2-methoxy-3-pyridyl)-7-methyl-octanoyl]amino]-4-(p-tolyl)benzoic acid CAS Name: 3-[[3-(2-methoxy-3-pyridinyl)-7-methyl-1-oxooctyl]amino]-4-(4-methylphenyl)benzoic acid IUPAC Name: 3-[[3-(2-methoxypyridin-3-yl)-7-methyloctanoyl]amino]-4-(4-methylphenyl)benzoic acid Traditional Name: 3-[[3-(2-methoxy-3-pyridyl)-7-methyl-octanoyl]amino]-4-(p-tolyl)benzoic acid Formula: C29H34N2O4 MolecularWeight: 474.59126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)NC(=O)CC(CCCC(C)C)C3=C(N=CC=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)O)NC(=O)CC(CCCC(C)C)C3=C(N=CC=C3)OC

InChI

InChI=1S/C29H34N2O4/c1-19(2)7-5-8-22(25-9-6-16-30-28(25)35-4)18-27(32)31-26-17-23(29(33)34)14-15-24(26)21-12-10-20(3)11-13-21/h6,9-17,19,22H,5,7-8,18H2,1-4H3,(H,31,32)(H,33,34)