2-[[4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)butan-2-yl]phenyl]methyl]propanedioic acid

Systemtic Name: 2-[[4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)butan-2-yl]phenyl]methyl]propanedioic acid Openeye Name: 2-[[4-[1-carbamoyl-2-[2-(1-piperidyl)phenyl]propyl]phenyl]methyl]propanedioic acid CAS Name: 2-[[4-[1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]butan-2-yl]phenyl]methyl]propanedioic acid IUPAC Name: 2-[[4-[1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)butan-2-yl]phenyl]methyl]propanedioic acid Traditional Name: 2-[4-[1-carbamoyl-2-(2-piperidinophenyl)propyl]benzyl]malonic acid Formula: C25H30N2O5 MolecularWeight: 438.5161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1N2CCCCC2)C(C3=CC=C(C=C3)CC(C(=O)O)C(=O)O)C(=O)N

Isomeric SMILES

CC(C1=CC=CC=C1N2CCCCC2)C(C3=CC=C(C=C3)CC(C(=O)O)C(=O)O)C(=O)N

InChI

InChI=1S/C25H30N2O5/c1-16(19-7-3-4-8-21(19)27-13-5-2-6-14-27)22(23(26)28)18-11-9-17(10-12-18)15-20(24(29)30)25(31)32/h3-4,7-12,16,20,22H,2,5-6,13-15H2,1H3,(H2,26,28)(H,29,30)(H,31,32)