4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)hept-6-en-2-yl]benzoic acid

Systemtic Name: 4-[1-azanyl-1-oxidanylidene-3-(2-piperidin-1-ylphenyl)hept-6-en-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[2-(1-piperidyl)phenyl]hex-5-enyl]benzoic acid CAS Name: 4-[1-amino-1-oxo-3-[2-(1-piperidinyl)phenyl]hept-6-en-2-yl]benzoic acid IUPAC Name: 4-[1-amino-1-oxo-3-(2-piperidin-1-ylphenyl)hept-6-en-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(2-piperidinophenyl)hex-5-enyl]benzoic acid Formula: C25H30N2O3 MolecularWeight: 406.5173

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O3/c1-2-3-9-21(20-10-5-6-11-22(20)27-16-7-4-8-17-27)23(24(26)28)18-12-14-19(15-13-18)25(29)30/h2,5-6,10-15,21,23H,1,3-4,7-9,16-17H2,(H2,26,28)(H,29,30)