methyl 2-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-(4-chlorophenyl)ethanoate

Systemtic Name: methyl 2-[4-(1-adamantylcarbonyl)piperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: 2-[4-[1-adamantyl(oxo)methyl]-1-piperazinyl]-2-(4-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: 2-[4-(adamantane-1-carbonyl)piperazino]-2-(4-chlorophenyl)acetic acid methyl ester Formula: C24H31ClN2O3 MolecularWeight: 430.96754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H31ClN2O3/c1-30-22(28)21(19-2-4-20(25)5-3-19)26-6-8-27(9-7-26)23(29)24-13-16-10-17(14-24)12-18(11-16)15-24/h2-5,16-18,21H,6-15H2,1H3