6-methoxy-4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 6-methoxy-4-[4-(phenylmethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-methoxy-quinoline-3-carboxylic acid CAS Name: 6-methoxy-4-[4-(phenylmethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-methoxyquinoline-3-carboxylic acid Traditional Name: 4-(4-benzylpiperazino)-6-methoxy-quinoline-3-carboxylic acid Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C(=CN=C2C=C1)C(=O)O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C(=CN=C2C=C1)C(=O)O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3/c1-28-17-7-8-20-18(13-17)21(19(14-23-20)22(26)27)25-11-9-24(10-12-25)15-16-5-3-2-4-6-16/h2-8,13-14H,9-12,15H2,1H3,(H,26,27)