[2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-(4-methylphenyl)adamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)carbamoylamino]ethyl] 3-(4-methylphenyl)adamantane-1-carboxylate Openeye Name: [2-(benzylcarbamoylamino)-2-oxo-ethyl] 3-(p-tolyl)adamantane-1-carboxylate CAS Name: 3-(4-methylphenyl)-1-adamantanecarboxylic acid [2-oxo-2-[[oxo-[(phenylmethyl)amino]methyl]amino]ethyl] ester IUPAC Name: [2-(benzylcarbamoylamino)-2-oxoethyl] 3-(4-methylphenyl)adamantane-1-carboxylate Traditional Name: 3-(p-tolyl)adamantane-1-carboxylic acid [2-(benzylcarbamoylamino)-2-keto-ethyl] ester Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NC(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C28H32N2O4/c1-19-7-9-23(10-8-19)27-12-21-11-22(13-27)15-28(14-21,18-27)25(32)34-17-24(31)30-26(33)29-16-20-5-3-2-4-6-20/h2-10,21-22H,11-18H2,1H3,(H2,29,30,31,33)