methyl 4-[[2-[(2R)-1-(2-adamantylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]ethylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(2R)-1-(2-adamantylmethyl)-5-oxidanylidene-pyrrolidin-2-yl]ethylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[(2R)-1-(2-adamantylmethyl)-5-oxo-pyrrolidin-2-yl]ethylamino]methyl]benzoate CAS Name: 4-[[2-[(2R)-1-(2-adamantylmethyl)-5-oxo-2-pyrrolidinyl]ethylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(2R)-1-(2-adamantylmethyl)-5-oxopyrrolidin-2-yl]ethylamino]methyl]benzoate Traditional Name: 4-[[2-[(2R)-1-(2-adamantylmethyl)-5-keto-pyrrolidin-2-yl]ethylamino]methyl]benzoic acid methyl ester Formula: C26H36N2O3 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNCCC2CCC(=O)N2CC3C4CC5CC(C4)CC3C5

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNCC[C@H]2CCC(=O)N2CC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C26H36N2O3/c1-31-26(30)20-4-2-17(3-5-20)15-27-9-8-23-6-7-25(29)28(23)16-24-21-11-18-10-19(13-21)14-22(24)12-18/h2-5,18-19,21-24,27H,6-16H2,1H3/t18?,19?,21?,22?,23-,24?/m1/s1