(2-methylphenyl) 3-(3,4-dihydro-2H-pyrrol-5-ylamino)adamantane-1-carboxylate

Systemtic Name: (2-methylphenyl) 3-(3,4-dihydro-2H-pyrrol-5-ylamino)adamantane-1-carboxylate Openeye Name: o-tolyl 3-(3,4-dihydro-2H-pyrrol-5-ylamino)adamantane-1-carboxylate CAS Name: 3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-adamantanecarboxylic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 3-(3,4-dihydro-2H-pyrrol-5-ylamino)adamantane-1-carboxylate Traditional Name: 3-(1-pyrrolin-2-ylamino)adamantane-1-carboxylic acid o-tolyl ester Formula: C22H28N2O2 MolecularWeight: 352.46992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)C23CC4CC(C2)CC(C4)(C3)NC5=NCCC5

Isomeric SMILES

CC1=CC=CC=C1OC(=O)C23CC4CC(C2)CC(C4)(C3)NC5=NCCC5

InChI

InChI=1S/C22H28N2O2/c1-15-5-2-3-6-18(15)26-20(25)21-10-16-9-17(11-21)13-22(12-16,14-21)24-19-7-4-8-23-19/h2-3,5-6,16-17H,4,7-14H2,1H3,(H,23,24)