4-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid

Systemtic Name: 4-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]benzoic acid Openeye Name: 4-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxo-ethyl]piperazin-1-yl]benzoic acid CAS Name: 4-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-piperazinyl]benzoic acid IUPAC Name: 4-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]benzoic acid Traditional Name: 4-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethyl]piperazino]benzoic acid Formula: C22H25N3O3 MolecularWeight: 379.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)C(=O)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)C(=O)CN3CCN(CC3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H25N3O3/c26-21(25-11-3-5-17-4-1-2-6-20(17)25)16-23-12-14-24(15-13-23)19-9-7-18(8-10-19)22(27)28/h1-2,4,6-10H,3,5,11-16H2,(H,27,28)