4-[1-azanyl-3-(4-methyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-hexan-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(4-methyl-2-piperidin-1-yl-phenyl)-1-oxidanylidene-hexan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[4-methyl-2-(1-piperidyl)phenyl]pentyl]benzoic acid CAS Name: 4-[1-amino-3-[4-methyl-2-(1-piperidinyl)phenyl]-1-oxohexan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(4-methyl-2-piperidin-1-ylphenyl)-1-oxohexan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(4-methyl-2-piperidino-phenyl)pentyl]benzoic acid Formula: C25H32N2O3 MolecularWeight: 408.53318

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=C(C=C1)C)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CCCC(C1=C(C=C(C=C1)C)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C25H32N2O3/c1-3-7-21(23(24(26)28)18-9-11-19(12-10-18)25(29)30)20-13-8-17(2)16-22(20)27-14-5-4-6-15-27/h8-13,16,21,23H,3-7,14-15H2,1-2H3,(H2,26,28)(H,29,30)