4-azanylbenzene-1,3-dicarboxylic acid; 1-phenyl-4-piperidin-4-yl-butan-1-one

Systemtic Name: 4-azanylbenzene-1,3-dicarboxylic acid; 1-phenyl-4-piperidin-4-yl-butan-1-one Openeye Name: 4-aminobenzene-1,3-dicarboxylic acid; 1-phenyl-4-(4-piperidyl)butan-1-one CAS Name: 4-aminobenzene-1,3-dicarboxylic acid; 1-phenyl-4-(4-piperidinyl)-1-butanone IUPAC Name: 4-aminobenzene-1,3-dicarboxylic acid; 1-phenyl-4-piperidin-4-ylbutan-1-one Traditional Name: 4-aminoisophthalic acid; 1-phenyl-4-(4-piperidyl)butan-1-one Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCC(=O)C2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)C(=O)O)N

Isomeric SMILES

C1CNCCC1CCCC(=O)C2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)C(=O)O)N

InChI

InChI=1S/C15H21NO.C8H7NO4/c17-15(14-6-2-1-3-7-14)8-4-5-13-9-11-16-12-10-13;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,6-7,13,16H,4-5,8-12H2;1-3H,9H2,(H,10,11)(H,12,13)