[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)adamantane-1-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)adamantane-1-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 3-(p-tolyl)adamantane-1-carboxylate CAS Name: 3-(4-methylphenyl)-1-adamantanecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(4-methylphenyl)adamantane-1-carboxylate Traditional Name: 3-(p-tolyl)adamantane-1-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NCC5=CC=CO5

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)NCC5=CC=CO5

InChI

InChI=1S/C25H29NO4/c1-17-4-6-20(7-5-17)24-10-18-9-19(11-24)13-25(12-18,16-24)23(28)30-15-22(27)26-14-21-3-2-8-29-21/h2-8,18-19H,9-16H2,1H3,(H,26,27)