methyl 2-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]methyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: methyl 2-[[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]methyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: methyl 4-phenyl-2-[[4-(tetrahydrofuran-2-carbonyl)piperazin-1-yl]methyl]quinoline-3-carboxylate CAS Name: 2-[[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]methyl]-4-phenyl-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate Traditional Name: 4-phenyl-2-[[4-(tetrahydrofuran-2-carbonyl)piperazino]methyl]quinoline-3-carboxylic acid methyl ester Formula: C27H29N3O4 MolecularWeight: 459.53686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C(=O)C4CCCO4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCN(CC3)C(=O)C4CCCO4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O4/c1-33-27(32)25-22(18-29-13-15-30(16-14-29)26(31)23-12-7-17-34-23)28-21-11-6-5-10-20(21)24(25)19-8-3-2-4-9-19/h2-6,8-11,23H,7,12-18H2,1H3