1-[3-methyl-4-[3-oxidanyl-3-(4-oxidanyl-4-quinoxalin-2-yl-piperidin-1-yl)propoxy]phenyl]ethanone; 2-oxidanylbenzoic acid

Systemtic Name: 1-[3-methyl-4-[3-oxidanyl-3-(4-oxidanyl-4-quinoxalin-2-yl-piperidin-1-yl)propoxy]phenyl]ethanone; 2-oxidanylbenzoic acid Openeye Name: 2-hydroxybenzoic acid; 1-[4-[3-hydroxy-3-(4-hydroxy-4-quinoxalin-2-yl-1-piperidyl)propoxy]-3-methyl-phenyl]ethanone CAS Name: 2-hydroxybenzoic acid; 1-[4-[3-hydroxy-3-[4-hydroxy-4-(2-quinoxalinyl)-1-piperidinyl]propoxy]-3-methylphenyl]ethanone IUPAC Name: 2-hydroxybenzoic acid; 1-[4-[3-hydroxy-3-(4-hydroxy-4-quinoxalin-2-ylpiperidin-1-yl)propoxy]-3-methylphenyl]ethanone Traditional Name: 1-[4-[3-hydroxy-3-(4-hydroxy-4-quinoxalin-2-yl-piperidino)propoxy]-3-methyl-phenyl]ethanone; salicylic acid Formula: C32H35N3O7 MolecularWeight: 573.6362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)C)OCCC(N2CCC(CC2)(C3=NC4=CC=CC=C4N=C3)O)O.C1=CC=C(C(=C1)C(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)C)OCCC(N2CCC(CC2)(C3=NC4=CC=CC=C4N=C3)O)O.C1=CC=C(C(=C1)C(=O)O)O

InChI

InChI=1S/C25H29N3O4.C7H6O3/c1-17-15-19(18(2)29)7-8-22(17)32-14-9-24(30)28-12-10-25(31,11-13-28)23-16-26-20-5-3-4-6-21(20)27-23;8-6-4-2-1-3-5(6)7(9)10/h3-8,15-16,24,30-31H,9-14H2,1-2H3;1-4,8H,(H,9,10)