methyl 4-[2-[3-(4-methylphenyl)-1-adamantyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[3-(4-methylphenyl)-1-adamantyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(p-tolyl)-1-adamantyl]acetyl]amino]benzoate CAS Name: 4-[[2-[3-(4-methylphenyl)-1-adamantyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(4-methylphenyl)-1-adamantyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[3-(p-tolyl)-1-adamantyl]acetyl]amino]benzoic acid methyl ester Formula: C27H31NO3 MolecularWeight: 417.53994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO3/c1-18-3-7-22(8-4-18)27-14-19-11-20(15-27)13-26(12-19,17-27)16-24(29)28-23-9-5-21(6-10-23)25(30)31-2/h3-10,19-20H,11-17H2,1-2H3,(H,28,29)