methyl (1R,2R)-2-[4-[4-(1-adamantylcarbamoylamino)phenyl]phenyl]carbonylcyclopentane-1-carboxylate

Systemtic Name: methyl (1R,2R)-2-[4-[4-(1-adamantylcarbamoylamino)phenyl]phenyl]carbonylcyclopentane-1-carboxylate Openeye Name: methyl (1R,2R)-2-[4-[4-(1-adamantylcarbamoylamino)phenyl]benzoyl]cyclopentanecarboxylate CAS Name: (1R,2R)-2-[[4-[4-[[(1-adamantylamino)-oxomethyl]amino]phenyl]phenyl]-oxomethyl]-1-cyclopentanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2R)-2-[4-[4-(1-adamantylcarbamoylamino)phenyl]benzoyl]cyclopentane-1-carboxylate Traditional Name: (1R,2R)-2-[4-[4-(1-adamantylcarbamoylamino)phenyl]benzoyl]cyclopentanecarboxylic acid methyl ester Formula: C31H36N2O4 MolecularWeight: 500.62854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCC1C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)[C@@H]1CCC[C@H]1C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H36N2O4/c1-37-29(35)27-4-2-3-26(27)28(34)24-7-5-22(6-8-24)23-9-11-25(12-10-23)32-30(36)33-31-16-19-13-20(17-31)15-21(14-19)18-31/h5-12,19-21,26-27H,2-4,13-18H2,1H3,(H2,32,33,36)/t19?,20?,21?,26-,27-,31?/m1/s1