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

Systemtic Name: 3-[2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-4-phenylmethoxy-phenyl]propanoic acid Openeye Name: 3-[4-benzyloxy-2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]phenyl]propanoic acid CAS Name: 3-[2-[[[2-hydroxyethyl(phenethyl)amino]-oxomethyl]amino]-4-phenylmethoxyphenyl]propanoic acid IUPAC Name: 3-[2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]-4-phenylmethoxyphenyl]propanoic acid Traditional Name: 3-[4-benzoxy-2-[[2-hydroxyethyl(phenethyl)carbamoyl]amino]phenyl]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)NC2=C(C=CC(=C2)OCC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(CCO)C(=O)NC2=C(C=CC(=C2)OCC3=CC=CC=C3)CCC(=O)O

InChI

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