2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: 3-(4-benzyloxyphenyl)-2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propanoic acid CAS Name: 2-[[[2-hydroxyethyl(phenethyl)amino]-oxomethyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: 2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: 3-(4-benzoxyphenyl)-2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]propionic acid Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CCO)C(=O)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCO)C(=O)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C27H30N2O5/c30-18-17-29(16-15-21-7-3-1-4-8-21)27(33)28-25(26(31)32)19-22-11-13-24(14-12-22)34-20-23-9-5-2-6-10-23/h1-14,25,30H,15-20H2,(H,28,33)(H,31,32)