2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-yl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-furan-3-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furanyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylfuran-3-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-furoyl]amino]-3-phenyl-propionic acid Formula: C23H21NO6 MolecularWeight: 407.41594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C2=CC3=C(C=C2)OCCO3)C(=O)NC(CC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)C2=CC3=C(C=C2)OCCO3)C(=O)NC(CC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H21NO6/c1-14-17(22(25)24-18(23(26)27)11-15-5-3-2-4-6-15)13-20(30-14)16-7-8-19-21(12-16)29-10-9-28-19/h2-8,12-13,18H,9-11H2,1H3,(H,24,25)(H,26,27)