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

Systemtic Name: propan-2-yl 4-[[(2R)-1-(1-adamantylcarbonyl)pyrrolidin-2-yl]carbonylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 4-[[(2R)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate Traditional Name: 4-[[(2R)-1-(adamantane-1-carbonyl)prolyl]amino]benzoic acid isopropyl ester Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4/c1-16(2)32-24(30)20-5-7-21(8-6-20)27-23(29)22-4-3-9-28(22)25(31)26-13-17-10-18(14-26)12-19(11-17)15-26/h5-8,16-19,22H,3-4,9-15H2,1-2H3,(H,27,29)/t17?,18?,19?,22-,26?/m1/s1