4-[4-(benzamidomethyl)-2-[2-(4-fluoranylnaphthalen-1-yl)propanoylamino]phenyl]butanoic acid

Systemtic Name: 4-[4-(benzamidomethyl)-2-[2-(4-fluoranylnaphthalen-1-yl)propanoylamino]phenyl]butanoic acid Openeye Name: 4-[4-(benzamidomethyl)-2-[2-(4-fluoro-1-naphthyl)propanoylamino]phenyl]butanoic acid CAS Name: 4-[4-(benzamidomethyl)-2-[[2-(4-fluoro-1-naphthalenyl)-1-oxopropyl]amino]phenyl]butanoic acid IUPAC Name: 4-[4-(benzamidomethyl)-2-[2-(4-fluoronaphthalen-1-yl)propanoylamino]phenyl]butanoic acid Traditional Name: 4-[4-(benzamidomethyl)-2-[2-(4-fluoro-1-naphthyl)propanoylamino]phenyl]butyric acid Formula: C31H29FN2O4 MolecularWeight: 512.571363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C2=CC=CC=C21)F)C(=O)NC3=C(C=CC(=C3)CNC(=O)C4=CC=CC=C4)CCCC(=O)O

Isomeric SMILES

CC(C1=CC=C(C2=CC=CC=C21)F)C(=O)NC3=C(C=CC(=C3)CNC(=O)C4=CC=CC=C4)CCCC(=O)O

InChI

InChI=1S/C31H29FN2O4/c1-20(24-16-17-27(32)26-12-6-5-11-25(24)26)30(37)34-28-18-21(14-15-22(28)10-7-13-29(35)36)19-33-31(38)23-8-3-2-4-9-23/h2-6,8-9,11-12,14-18,20H,7,10,13,19H2,1H3,(H,33,38)(H,34,37)(H,35,36)