2-[4-[2-azanyl-3-(4-fluorophenyl)propanoyl]-2-oxidanylidene-3-prop-2-enyl-piperazin-1-yl]-3-naphthalen-2-yl-propanoic acid

Systemtic Name: 2-[4-[2-azanyl-3-(4-fluorophenyl)propanoyl]-2-oxidanylidene-3-prop-2-enyl-piperazin-1-yl]-3-naphthalen-2-yl-propanoic acid Openeye Name: 2-[3-allyl-4-[2-amino-3-(4-fluorophenyl)propanoyl]-2-oxo-piperazin-1-yl]-3-(2-naphthyl)propanoic acid CAS Name: 2-[4-[2-amino-3-(4-fluorophenyl)-1-oxopropyl]-2-oxo-3-prop-2-enyl-1-piperazinyl]-3-(2-naphthalenyl)propanoic acid IUPAC Name: 2-[4-[2-amino-3-(4-fluorophenyl)propanoyl]-2-oxo-3-prop-2-enylpiperazin-1-yl]-3-naphthalen-2-ylpropanoic acid Traditional Name: 2-[3-allyl-4-[2-amino-3-(4-fluorophenyl)propanoyl]-2-keto-piperazino]-3-(2-naphthyl)propionic acid Formula: C29H30FN3O4 MolecularWeight: 503.564603

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1C(=O)N(CCN1C(=O)C(CC2=CC=C(C=C2)F)N)C(CC3=CC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C=CCC1C(=O)N(CCN1C(=O)C(CC2=CC=C(C=C2)F)N)C(CC3=CC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C29H30FN3O4/c1-2-5-25-28(35)33(15-14-32(25)27(34)24(31)17-19-9-12-23(30)13-10-19)26(29(36)37)18-20-8-11-21-6-3-4-7-22(21)16-20/h2-4,6-13,16,24-26H,1,5,14-15,17-18,31H2,(H,36,37)