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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1N2CCC(CC2)C)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CCCC(C1=CC=CC=C1N2CCC(CC2)C)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C25H32N2O3/c1-3-6-21(23(24(26)28)18-9-11-19(12-10-18)25(29)30)20-7-4-5-8-22(20)27-15-13-17(2)14-16-27/h4-5,7-12,17,21,23H,3,6,13-16H2,1-2H3,(H2,26,28)(H,29,30)