2-[[3-(4-methoxyphenyl)-1-adamantyl]methylcarbamoyl]benzoic acid

Systemtic Name: 2-[[3-(4-methoxyphenyl)-1-adamantyl]methylcarbamoyl]benzoic acid Openeye Name: 2-[[3-(4-methoxyphenyl)-1-adamantyl]methylcarbamoyl]benzoic acid CAS Name: 2-[[[3-(4-methoxyphenyl)-1-adamantyl]methylamino]-oxomethyl]benzoic acid IUPAC Name: 2-[[3-(4-methoxyphenyl)-1-adamantyl]methylcarbamoyl]benzoic acid Traditional Name: 2-[[3-(4-methoxyphenyl)-1-adamantyl]methylcarbamoyl]benzoic acid Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CNC(=O)C5=CC=CC=C5C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)CNC(=O)C5=CC=CC=C5C(=O)O

InChI

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