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

Systemtic Name: methyl 4-[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]carbonylamino]benzoate Openeye Name: methyl 4-[[(5S,7R)-3-(p-tolyl)adamantane-1-carbonyl]amino]benzoate CAS Name: 4-[[[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]benzoate Traditional Name: 4-[[(5S,7R)-3-(p-tolyl)adamantane-1-carbonyl]amino]benzoic acid methyl ester Formula: C26H29NO3 MolecularWeight: 403.51336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=C(C=C5)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO3/c1-17-3-7-21(8-4-17)25-12-18-11-19(13-25)15-26(14-18,16-25)24(29)27-22-9-5-20(6-10-22)23(28)30-2/h3-10,18-19H,11-16H2,1-2H3,(H,27,29)/t18-,19+,25?,26?