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

Systemtic Name: 4-[[3-(1-adamantyl)-4-methoxy-phenyl]carbonylamino]benzoic acid Openeye Name: 4-[[3-(1-adamantyl)-4-methoxy-benzoyl]amino]benzoic acid CAS Name: 4-[[[3-(1-adamantyl)-4-methoxyphenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-(1-adamantyl)-4-methoxybenzoyl]amino]benzoic acid Traditional Name: 4-[[3-(1-adamantyl)-4-methoxy-benzoyl]amino]benzoic acid Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO4/c1-30-22-7-4-19(23(27)26-20-5-2-18(3-6-20)24(28)29)11-21(22)25-12-15-8-16(13-25)10-17(9-15)14-25/h2-7,11,15-17H,8-10,12-14H2,1H3,(H,26,27)(H,28,29)