4-[1-azanyl-3-(2-chloranyl-6-piperidin-1-yl-phenyl)-1-oxidanylidene-but-3-en-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-3-(2-chloranyl-6-piperidin-1-yl-phenyl)-1-oxidanylidene-but-3-en-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[2-chloro-6-(1-piperidyl)phenyl]allyl]benzoic acid CAS Name: 4-[1-amino-3-[2-chloro-6-(1-piperidinyl)phenyl]-1-oxobut-3-en-2-yl]benzoic acid IUPAC Name: 4-[1-amino-3-(2-chloro-6-piperidin-1-ylphenyl)-1-oxobut-3-en-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(2-chloro-6-piperidino-phenyl)allyl]benzoic acid Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C=CC=C1Cl)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

C=C(C1=C(C=CC=C1Cl)N2CCCCC2)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C22H23ClN2O3/c1-14(19(21(24)26)15-8-10-16(11-9-15)22(27)28)20-17(23)6-5-7-18(20)25-12-3-2-4-13-25/h5-11,19H,1-4,12-13H2,(H2,24,26)(H,27,28)