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4-[[3-azanylpropyl-(phenylmethyl)amino]methyl]benzoic acid

4-[[3-azanylpropyl-(phenylmethyl)amino]methyl]benzoic acid

Systemtic Name:4-[[3-azanylpropyl-(phenylmethyl)amino]methyl]benzoic acid
Openeye Name:4-[[3-aminopropyl(benzyl)amino]methyl]benzoic acid
CAS Name:4-[[3-aminopropyl-(phenylmethyl)amino]methyl]benzoic acid
IUPAC Name:4-[[3-aminopropyl(benzyl)amino]methyl]benzoic acid
Traditional Name:4-[[3-aminopropyl(benzyl)amino]methyl]benzoic acid
Formula: C18H22N2O2
MolecularWeight: 298.37948
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCCN)CC2=CC=C(C=C2)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CN(CCCN)CC2=CC=C(C=C2)C(=O)O


InChI

InChI=1S/C18H22N2O2/c19-11-4-12-20(13-15-5-2-1-3-6-15)14-16-7-9-17(10-8-16)18(21)22/h1-3,5-10H,4,11-14,19H2,(H,21,22)


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