[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-chloranyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 4-chloro-1-methyl-pyrrole-2-carboxylate CAS Name: 4-chloro-1-methyl-2-pyrrolecarboxylic acid [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 4-chloro-1-methylpyrrole-2-carboxylate Traditional Name: 4-chloro-1-methyl-pyrrole-2-carboxylic acid [2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C20H27ClN2O3 MolecularWeight: 378.89298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC(=CN4C)Cl

Isomeric SMILES

C[C@@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC(=CN4C)Cl

InChI

InChI=1S/C20H27ClN2O3/c1-12(20-7-13-3-14(8-20)5-15(4-13)9-20)22-18(24)11-26-19(25)17-6-16(21)10-23(17)2/h6,10,12-15H,3-5,7-9,11H2,1-2H3,(H,22,24)/t12-,13?,14?,15?,20?/m0/s1