3-[4-[(E)-3-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)prop-2-enyl]piperazin-1-yl]benzoic acid

Systemtic Name: 3-[4-[(E)-3-(2-oxidanylidene-3,4-dihydro-1H-quinolin-6-yl)prop-2-enyl]piperazin-1-yl]benzoic acid Openeye Name: 3-[4-[(E)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)allyl]piperazin-1-yl]benzoic acid CAS Name: 3-[4-[(E)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)prop-2-enyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-[4-[(E)-3-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)prop-2-enyl]piperazin-1-yl]benzoic acid Traditional Name: 3-[4-[(E)-3-(2-keto-3,4-dihydro-1H-quinolin-6-yl)allyl]piperazino]benzoic acid Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C1C=C(C=C2)C=CCN3CCN(CC3)C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1CC(=O)NC2=C1C=C(C=C2)/C=C/CN3CCN(CC3)C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H25N3O3/c27-22-9-7-18-15-17(6-8-21(18)24-22)3-2-10-25-11-13-26(14-12-25)20-5-1-4-19(16-20)23(28)29/h1-6,8,15-16H,7,9-14H2,(H,24,27)(H,28,29)/b3-2+