2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 6-chloranyl-4-phenylmethoxy-quinoline-2-carboxylate

Systemtic Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 6-chloranyl-4-phenylmethoxy-quinoline-2-carboxylate Openeye Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 4-benzyloxy-6-chloro-quinoline-2-carboxylate CAS Name: 6-chloro-4-phenylmethoxy-2-quinolinecarboxylic acid 2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 6-chloro-4-phenylmethoxyquinoline-2-carboxylate Traditional Name: 4-benzoxy-6-chloro-quinaldic acid 2-[4-(3-chlorophenyl)piperazino]ethyl ester Formula: C29H27Cl2N3O3 MolecularWeight: 536.44898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)C2=NC3=C(C=C(C=C3)Cl)C(=C2)OCC4=CC=CC=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CN(CCN1CCOC(=O)C2=NC3=C(C=C(C=C3)Cl)C(=C2)OCC4=CC=CC=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H27Cl2N3O3/c30-22-7-4-8-24(17-22)34-13-11-33(12-14-34)15-16-36-29(35)27-19-28(37-20-21-5-2-1-3-6-21)25-18-23(31)9-10-26(25)32-27/h1-10,17-19H,11-16,20H2