4-[4-[(cyclopropylcarbonylamino)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid

Systemtic Name: 4-[4-[(cyclopropylcarbonylamino)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Openeye Name: 4-[4-[(cyclopropanecarbonylamino)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-[[[cyclopropyl(oxo)methyl]amino]methyl]-2-[[2-(1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-[(cyclopropanecarbonylamino)methyl]-2-(2-naphthalen-1-ylpropanoylamino)phenyl]butanoic acid Traditional Name: 4-[4-[(cyclopropanecarbonylamino)methyl]-2-[2-(1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C28H30N2O4 MolecularWeight: 458.5488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CNC(=O)C4CC4)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)C(=O)NC3=C(C=CC(=C3)CNC(=O)C4CC4)CCCC(=O)O

InChI

InChI=1S/C28H30N2O4/c1-18(23-10-4-7-20-6-2-3-9-24(20)23)27(33)30-25-16-19(17-29-28(34)22-14-15-22)12-13-21(25)8-5-11-26(31)32/h2-4,6-7,9-10,12-13,16,18,22H,5,8,11,14-15,17H2,1H3,(H,29,34)(H,30,33)(H,31,32)