3-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbonylamino]benzoate

Systemtic Name: 3-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbonylamino]benzoate Openeye Name: 3-[[(5S,7R)-3-(p-tolyl)adamantane-1-carbonyl]amino]benzoate CAS Name: 3-[[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-oxomethyl]amino]benzoate IUPAC Name: 3-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]benzoate Traditional Name: 3-[[(5S,7R)-3-(p-tolyl)adamantane-1-carbonyl]amino]benzoate Formula: C25H26NO3- MolecularWeight: 388.47884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=CC(=C5)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)C(=O)NC5=CC=CC(=C5)C(=O)[O-]

InChI

InChI=1S/C25H27NO3/c1-16-5-7-20(8-6-16)24-11-17-9-18(12-24)14-25(13-17,15-24)23(29)26-21-4-2-3-19(10-21)22(27)28/h2-8,10,17-18H,9,11-15H2,1H3,(H,26,29)(H,27,28)/p-1/t17-,18+,24?,25?