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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC=CC=C1N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

C=C(C1=CC=CC=C1N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

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