[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 1-(1-adamantylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-2-pyrrolidinecarboxylic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)pyrrolidine-2-carboxylic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C27H36N2O4/c1-3-21-7-4-6-17(2)24(21)28-23(30)16-33-25(31)22-8-5-9-29(22)26(32)27-13-18-10-19(14-27)12-20(11-18)15-27/h4,6-7,18-20,22H,3,5,8-16H2,1-2H3,(H,28,30)