4-[2-azanyl-1-(5-azanyl-2-piperidin-1-yl-phenyl)-2-oxidanylidene-ethyl]benzoic acid

Systemtic Name: 4-[2-azanyl-1-(5-azanyl-2-piperidin-1-yl-phenyl)-2-oxidanylidene-ethyl]benzoic acid Openeye Name: 4-[2-amino-1-[5-amino-2-(1-piperidyl)phenyl]-2-oxo-ethyl]benzoic acid CAS Name: 4-[2-amino-1-[5-amino-2-(1-piperidinyl)phenyl]-2-oxoethyl]benzoic acid IUPAC Name: 4-[2-amino-1-(5-amino-2-piperidin-1-ylphenyl)-2-oxoethyl]benzoic acid Traditional Name: 4-[2-amino-1-(5-amino-2-piperidino-phenyl)-2-keto-ethyl]benzoic acid Formula: C20H23N3O3 MolecularWeight: 353.41492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)N)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)N)C(C3=CC=C(C=C3)C(=O)O)C(=O)N

InChI

InChI=1S/C20H23N3O3/c21-15-8-9-17(23-10-2-1-3-11-23)16(12-15)18(19(22)24)13-4-6-14(7-5-13)20(25)26/h4-9,12,18H,1-3,10-11,21H2,(H2,22,24)(H,25,26)