4-[[2-azanylethyl(3-phenylpropanoyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[2-azanylethyl(3-phenylpropanoyl)amino]methyl]benzoic acid Openeye Name: 4-[[2-aminoethyl(3-phenylpropanoyl)amino]methyl]benzoic acid CAS Name: 4-[[2-aminoethyl-(1-oxo-3-phenylpropyl)amino]methyl]benzoic acid IUPAC Name: 4-[[2-aminoethyl(3-phenylpropanoyl)amino]methyl]benzoic acid Traditional Name: 4-[[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=C(C=C2)C(=O)O

Isomeric SMILES

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

InChI

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