3-[[2-azanylethyl(3-phenylpropanoyl)amino]methyl]benzoic acid

Systemtic Name: 3-[[2-azanylethyl(3-phenylpropanoyl)amino]methyl]benzoic acid Openeye Name: 3-[[2-aminoethyl(3-phenylpropanoyl)amino]methyl]benzoic acid CAS Name: 3-[[2-aminoethyl-(1-oxo-3-phenylpropyl)amino]methyl]benzoic acid IUPAC Name: 3-[[2-aminoethyl(3-phenylpropanoyl)amino]methyl]benzoic acid Traditional Name: 3-[[2-aminoethyl(hydrocinnamoyl)amino]methyl]benzoic acid Formula: C19H22N2O3 MolecularWeight: 326.38958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N(CCN)CC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N(CCN)CC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C19H22N2O3/c20-11-12-21(14-16-7-4-8-17(13-16)19(23)24)18(22)10-9-15-5-2-1-3-6-15/h1-8,13H,9-12,14,20H2,(H,23,24)