3-[4-[2,3-bis(azanyl)propylamino]phenyl]benzoic acid

Systemtic Name: 3-[4-[2,3-bis(azanyl)propylamino]phenyl]benzoic acid Openeye Name: 3-[4-(2,3-diaminopropylamino)phenyl]benzoic acid CAS Name: 3-[4-(2,3-diaminopropylamino)phenyl]benzoic acid IUPAC Name: 3-[4-(2,3-diaminopropylamino)phenyl]benzoic acid Traditional Name: 3-[4-(2,3-diaminopropylamino)phenyl]benzoic acid Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)NCC(CN)N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)NCC(CN)N

InChI

InChI=1S/C16H19N3O2/c17-9-14(18)10-19-15-6-4-11(5-7-15)12-2-1-3-13(8-12)16(20)21/h1-8,14,19H,9-10,17-18H2,(H,20,21)