ethyl 4-[[(2R)-1-(1-adamantylcarbonyl)pyrrolidin-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[(2R)-1-(1-adamantylcarbonyl)pyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate CAS Name: 4-[[[(2R)-1-[1-adamantyl(oxo)methyl]-2-pyrrolidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 4-[[(2R)-1-(adamantane-1-carbonyl)prolyl]amino]benzoic acid ethyl ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N2O4/c1-2-31-23(29)19-5-7-20(8-6-19)26-22(28)21-4-3-9-27(21)24(30)25-13-16-10-17(14-25)12-18(11-16)15-25/h5-8,16-18,21H,2-4,9-15H2,1H3,(H,26,28)/t16?,17?,18?,21-,25?/m1/s1