4-[2-[3-(1-adamantyl)-4-methoxy-phenyl]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-(1-adamantyl)-4-methoxy-phenyl]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[3-(1-adamantyl)-4-methoxy-phenyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[3-(1-adamantyl)-4-methoxyphenyl]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-(1-adamantyl)-4-methoxyphenyl]acetyl]amino]benzoic acid Traditional Name: 4-[[2-[3-(1-adamantyl)-4-methoxy-phenyl]acetyl]amino]benzoic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NC2=CC=C(C=C2)C(=O)O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H29NO4/c1-31-23-7-2-16(12-24(28)27-21-5-3-20(4-6-21)25(29)30)11-22(23)26-13-17-8-18(14-26)10-19(9-17)15-26/h2-7,11,17-19H,8-10,12-15H2,1H3,(H,27,28)(H,29,30)