4-[5-(8,8-dimethyl-6,7-dihydro-5H-quinoxalin-2-yl)-1H-pyrrol-2-yl]benzoic acid

Systemtic Name: 4-[5-(8,8-dimethyl-6,7-dihydro-5H-quinoxalin-2-yl)-1H-pyrrol-2-yl]benzoic acid Openeye Name: 4-[5-(8,8-dimethyl-6,7-dihydro-5H-quinoxalin-2-yl)-1H-pyrrol-2-yl]benzoic acid CAS Name: 4-[5-(8,8-dimethyl-6,7-dihydro-5H-quinoxalin-2-yl)-1H-pyrrol-2-yl]benzoic acid IUPAC Name: 4-[5-(8,8-dimethyl-6,7-dihydro-5H-quinoxalin-2-yl)-1H-pyrrol-2-yl]benzoic acid Traditional Name: 4-[5-(8,8-dimethyl-6,7-dihydro-5H-quinoxalin-2-yl)-1H-pyrrol-2-yl]benzoic acid Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2=NC=C(N=C21)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

Isomeric SMILES

CC1(CCCC2=NC=C(N=C21)C3=CC=C(N3)C4=CC=C(C=C4)C(=O)O)C

InChI

InChI=1S/C21H21N3O2/c1-21(2)11-3-4-17-19(21)24-18(12-22-17)16-10-9-15(23-16)13-5-7-14(8-6-13)20(25)26/h5-10,12,23H,3-4,11H2,1-2H3,(H,25,26)