methyl 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]-5-(furan-2-yl)pyrrole-2-carboxylate

Systemtic Name: methyl 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxidanylidene-ethyl]-5-(furan-2-yl)pyrrole-2-carboxylate Openeye Name: methyl 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxo-ethyl]-5-(2-furyl)pyrrole-2-carboxylate CAS Name: 1-[2-(4-cyclohexyl-1-piperazinyl)-2-oxoethyl]-5-(2-furanyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate Traditional Name: 1-[2-(4-cyclohexylpiperazino)-2-keto-ethyl]-5-(2-furyl)pyrrole-2-carboxylic acid methyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(N1CC(=O)N2CCN(CC2)C3CCCCC3)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC=C(N1CC(=O)N2CCN(CC2)C3CCCCC3)C4=CC=CO4

InChI

InChI=1S/C22H29N3O4/c1-28-22(27)19-10-9-18(20-8-5-15-29-20)25(19)16-21(26)24-13-11-23(12-14-24)17-6-3-2-4-7-17/h5,8-10,15,17H,2-4,6-7,11-14,16H2,1H3