2-aminocarbonyl-4-(1,3-benzodioxol-5-yl)-2-ethenyl-3-methyl-5-[5-(phenylcarbamoyl)furan-2-yl]pentanoic acid

Systemtic Name: 2-aminocarbonyl-4-(1,3-benzodioxol-5-yl)-2-ethenyl-3-methyl-5-[5-(phenylcarbamoyl)furan-2-yl]pentanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-2-carbamoyl-3-methyl-5-[5-(phenylcarbamoyl)-2-furyl]-2-vinyl-pentanoic acid CAS Name: 5-[5-[anilino(oxo)methyl]-2-furanyl]-4-(1,3-benzodioxol-5-yl)-2-carbamoyl-2-ethenyl-3-methylpentanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-carbamoyl-2-ethenyl-3-methyl-5-[5-(phenylcarbamoyl)furan-2-yl]pentanoic acid Traditional Name: 2-[2-(1,3-benzodioxol-5-yl)-1-methyl-3-[5-(phenylcarbamoyl)-2-furyl]propyl]-2-carbamoyl-but-3-enoic acid Formula: C27H26N2O7 MolecularWeight: 490.50454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC1=CC=C(O1)C(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C(C=C)(C(=O)N)C(=O)O

Isomeric SMILES

CC(C(CC1=CC=C(O1)C(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C(C=C)(C(=O)N)C(=O)O

InChI

InChI=1S/C27H26N2O7/c1-3-27(25(28)31,26(32)33)16(2)20(17-9-11-21-23(13-17)35-15-34-21)14-19-10-12-22(36-19)24(30)29-18-7-5-4-6-8-18/h3-13,16,20H,1,14-15H2,2H3,(H2,28,31)(H,29,30)(H,32,33)