2-(phenylmethyl)-3-[4-[3-(propan-2-ylcarbamoylamino)propoxy]phenyl]propanoic acid

Systemtic Name: 2-(phenylmethyl)-3-[4-[3-(propan-2-ylcarbamoylamino)propoxy]phenyl]propanoic acid Openeye Name: 2-benzyl-3-[4-[3-(isopropylcarbamoylamino)propoxy]phenyl]propanoic acid CAS Name: 2-[[4-[3-[[oxo-(propan-2-ylamino)methyl]amino]propoxy]phenyl]methyl]-3-phenylpropanoic acid IUPAC Name: 2-benzyl-3-[4-[3-(propan-2-ylcarbamoylamino)propoxy]phenyl]propanoic acid Traditional Name: 2-benzyl-3-[4-[3-(isopropylcarbamoylamino)propoxy]phenyl]propionic acid Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCCCOC1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)NC(=O)NCCCOC1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H30N2O4/c1-17(2)25-23(28)24-13-6-14-29-21-11-9-19(10-12-21)16-20(22(26)27)15-18-7-4-3-5-8-18/h3-5,7-12,17,20H,6,13-16H2,1-2H3,(H,26,27)(H2,24,25,28)