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

Systemtic Name: 4-[1-azanyl-3-[2-(3,3-dimethylpiperidin-1-yl)phenyl]-1-oxidanylidene-hexan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[2-(3,3-dimethyl-1-piperidyl)phenyl]pentyl]benzoic acid CAS Name: 4-[1-amino-3-[2-(3,3-dimethyl-1-piperidinyl)phenyl]-1-oxohexan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-[2-(3,3-dimethylpiperidin-1-yl)phenyl]-1-oxohexan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-[2-(3,3-dimethylpiperidino)phenyl]pentyl]benzoic acid Formula: C26H34N2O3 MolecularWeight: 422.55976

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1N2CCCC(C2)(C)C)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

CCCC(C1=CC=CC=C1N2CCCC(C2)(C)C)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C26H34N2O3/c1-4-8-21(23(24(27)29)18-11-13-19(14-12-18)25(30)31)20-9-5-6-10-22(20)28-16-7-15-26(2,3)17-28/h5-6,9-14,21,23H,4,7-8,15-17H2,1-3H3,(H2,27,29)(H,30,31)