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

Systemtic Name: 4-[(E)-1-azanyl-3-[2-(3,3-dimethylpiperidin-1-yl)phenyl]-1-oxidanylidene-hex-3-en-2-yl]benzoic acid Openeye Name: 4-[(E)-1-carbamoyl-2-[2-(3,3-dimethyl-1-piperidyl)phenyl]pent-2-enyl]benzoic acid CAS Name: 4-[(E)-1-amino-3-[2-(3,3-dimethyl-1-piperidinyl)phenyl]-1-oxohex-3-en-2-yl]benzoic acid IUPAC Name: 4-[(E)-1-amino-3-[2-(3,3-dimethylpiperidin-1-yl)phenyl]-1-oxohex-3-en-2-yl]benzoic acid Traditional Name: 4-[(E)-1-carbamoyl-2-[2-(3,3-dimethylpiperidino)phenyl]pent-2-enyl]benzoic acid Formula: C26H32N2O3 MolecularWeight: 420.54388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC/C=C(/C1=CC=CC=C1N2CCCC(C2)(C)C)\C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C26H32N2O3/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/h5-6,8-14,23H,4,7,15-17H2,1-3H3,(H2,27,29)(H,30,31)/b21-8-