5-azanyl-2-[4-(phenylmethyl)piperazin-1-yl]benzoic acid

Systemtic Name: 5-azanyl-2-[4-(phenylmethyl)piperazin-1-yl]benzoic acid Openeye Name: 5-amino-2-(4-benzylpiperazin-1-yl)benzoic acid CAS Name: 5-amino-2-[4-(phenylmethyl)-1-piperazinyl]benzoic acid IUPAC Name: 5-amino-2-(4-benzylpiperazin-1-yl)benzoic acid Traditional Name: 5-amino-2-(4-benzylpiperazino)benzoic acid Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)N)C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C=C(C=C3)N)C(=O)O

InChI

InChI=1S/C18H21N3O2/c19-15-6-7-17(16(12-15)18(22)23)21-10-8-20(9-11-21)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13,19H2,(H,22,23)