2-(2-azanyl-2-oxidanylidene-ethyl)-4-[1-(2-piperidin-1-ylphenyl)ethenyl]benzoic acid

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)-4-[1-(2-piperidin-1-ylphenyl)ethenyl]benzoic acid Openeye Name: 2-(2-amino-2-oxo-ethyl)-4-[1-[2-(1-piperidyl)phenyl]vinyl]benzoic acid CAS Name: 2-(2-amino-2-oxoethyl)-4-[1-[2-(1-piperidinyl)phenyl]ethenyl]benzoic acid IUPAC Name: 2-(2-amino-2-oxoethyl)-4-[1-(2-piperidin-1-ylphenyl)ethenyl]benzoic acid Traditional Name: 2-(2-amino-2-keto-ethyl)-4-[1-(2-piperidinophenyl)vinyl]benzoic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)C(=O)O)CC(=O)N)C2=CC=CC=C2N3CCCCC3

Isomeric SMILES

C=C(C1=CC(=C(C=C1)C(=O)O)CC(=O)N)C2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C22H24N2O3/c1-15(16-9-10-19(22(26)27)17(13-16)14-21(23)25)18-7-3-4-8-20(18)24-11-5-2-6-12-24/h3-4,7-10,13H,1-2,5-6,11-12,14H2,(H2,23,25)(H,26,27)