methyl 1-(1-adamantylcarbonyl)-4-(4-chlorophenyl)-3-morpholin-4-yl-pyrrole-2-carboxylate

Systemtic Name: methyl 1-(1-adamantylcarbonyl)-4-(4-chlorophenyl)-3-morpholin-4-yl-pyrrole-2-carboxylate Openeye Name: methyl 1-(adamantane-1-carbonyl)-4-(4-chlorophenyl)-3-morpholino-pyrrole-2-carboxylate CAS Name: 1-[1-adamantyl(oxo)methyl]-4-(4-chlorophenyl)-3-(4-morpholinyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-(adamantane-1-carbonyl)-4-(4-chlorophenyl)-3-morpholin-4-ylpyrrole-2-carboxylate Traditional Name: 1-(adamantane-1-carbonyl)-4-(4-chlorophenyl)-3-morpholino-pyrrole-2-carboxylic acid methyl ester Formula: C27H31ClN2O4 MolecularWeight: 482.99904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1C(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)Cl)N6CCOCC6

Isomeric SMILES

COC(=O)C1=C(C(=CN1C(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)Cl)N6CCOCC6

InChI

InChI=1S/C27H31ClN2O4/c1-33-25(31)24-23(29-6-8-34-9-7-29)22(20-2-4-21(28)5-3-20)16-30(24)26(32)27-13-17-10-18(14-27)12-19(11-17)15-27/h2-5,16-19H,6-15H2,1H3