4-[1-azanyl-1-oxidanylidene-2-(2-piperidin-1-ylphenyl)but-3-en-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-1-oxidanylidene-2-(2-piperidin-1-ylphenyl)but-3-en-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-1-[2-(1-piperidyl)phenyl]allyl]benzoic acid CAS Name: 4-[1-amino-1-oxo-2-[2-(1-piperidinyl)phenyl]but-3-en-2-yl]benzoic acid IUPAC Name: 4-[1-amino-1-oxo-2-(2-piperidin-1-ylphenyl)but-3-en-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-1-(2-piperidinophenyl)allyl]benzoic acid Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-2-22(21(23)27,17-12-10-16(11-13-17)20(25)26)18-8-4-5-9-19(18)24-14-6-3-7-15-24/h2,4-5,8-13H,1,3,6-7,14-15H2,(H2,23,27)(H,25,26)