methyl 3-[[(2R)-1-(1-adamantylcarbonyl)pyrrolidin-2-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(2R)-1-(1-adamantylcarbonyl)pyrrolidin-2-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[(2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[(2R)-1-[1-adamantyl(oxo)methyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[(2R)-1-(adamantane-1-carbonyl)prolyl]amino]-4-methyl-benzoic acid methyl ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H]2CCCN2C(=O)C34CC5CC(C3)CC(C5)C4

InChI

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