ethyl 6-chloranyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-4-phenyl-quinoline-3-carboxylate

Systemtic Name: ethyl 6-chloranyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-4-phenyl-quinoline-3-carboxylate Openeye Name: ethyl 2-[(4-tert-butoxycarbonylpiperazin-1-yl)methyl]-6-chloro-4-phenyl-quinoline-3-carboxylate CAS Name: 6-chloro-2-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-piperazinyl]methyl]-4-phenyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-chloro-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-4-phenylquinoline-3-carboxylate Traditional Name: 2-[(4-tert-butoxycarbonylpiperazino)methyl]-6-chloro-4-phenyl-quinoline-3-carboxylic acid ethyl ester Formula: C28H32ClN3O4 MolecularWeight: 510.02438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)CN4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)CN4CCN(CC4)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H32ClN3O4/c1-5-35-26(33)25-23(18-31-13-15-32(16-14-31)27(34)36-28(2,3)4)30-22-12-11-20(29)17-21(22)24(25)19-9-7-6-8-10-19/h6-12,17H,5,13-16,18H2,1-4H3