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

Systemtic Name: 4-[1-azanyl-1-oxidanylidene-3-(3-piperidin-1-ylphenyl)butan-2-yl]benzoic acid Openeye Name: 4-[1-carbamoyl-2-[3-(1-piperidyl)phenyl]propyl]benzoic acid CAS Name: 4-[1-amino-1-oxo-3-[3-(1-piperidinyl)phenyl]butan-2-yl]benzoic acid IUPAC Name: 4-[1-amino-1-oxo-3-(3-piperidin-1-ylphenyl)butan-2-yl]benzoic acid Traditional Name: 4-[1-carbamoyl-2-(3-piperidinophenyl)propyl]benzoic acid Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3/c1-15(18-6-5-7-19(14-18)24-12-3-2-4-13-24)20(21(23)25)16-8-10-17(11-9-16)22(26)27/h5-11,14-15,20H,2-4,12-13H2,1H3,(H2,23,25)(H,26,27)