2-[[5-(phenylcarbamoyl)furan-2-yl]methyl]-3-[[(E)-3-phenylprop-2-enyl]amino]butanoate

Systemtic Name: 2-[[5-(phenylcarbamoyl)furan-2-yl]methyl]-3-[[(E)-3-phenylprop-2-enyl]amino]butanoate Openeye Name: 3-[[(E)-cinnamyl]amino]-2-[[5-(phenylcarbamoyl)-2-furyl]methyl]butanoate CAS Name: 2-[[5-[anilino(oxo)methyl]-2-furanyl]methyl]-3-[[(E)-3-phenylprop-2-enyl]amino]butanoate IUPAC Name: 2-[[5-(phenylcarbamoyl)furan-2-yl]methyl]-3-[[(E)-3-phenylprop-2-enyl]amino]butanoate Traditional Name: 3-[[(E)-cinnamyl]amino]-2-[[5-(phenylcarbamoyl)-2-furyl]methyl]butyrate Formula: C25H25N2O4- MolecularWeight: 417.477

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(O1)C(=O)NC2=CC=CC=C2)C(=O)[O-])NCC=CC3=CC=CC=C3

Isomeric SMILES

CC(C(CC1=CC=C(O1)C(=O)NC2=CC=CC=C2)C(=O)[O-])NC/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O4/c1-18(26-16-8-11-19-9-4-2-5-10-19)22(25(29)30)17-21-14-15-23(31-21)24(28)27-20-12-6-3-7-13-20/h2-15,18,22,26H,16-17H2,1H3,(H,27,28)(H,29,30)/p-1/b11-8+