4-[2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoylamino]-4-isocyano-phenyl]butanoic acid

Systemtic Name: 4-[2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoylamino]-4-isocyano-phenyl]butanoic acid Openeye Name: 4-[2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoylamino]-4-isocyano-phenyl]butanoic acid CAS Name: 4-[2-[[2-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-oxopropyl]amino]-4-isocyanophenyl]butanoic acid IUPAC Name: 4-[2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoylamino]-4-isocyanophenyl]butanoic acid Traditional Name: 4-[2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)propanoylamino]-4-isocyano-phenyl]butyric acid Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=CC=C1)OCCO2)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CCCC(=O)O

Isomeric SMILES

CC(C1=C2C(=CC=C1)OCCO2)C(=O)NC3=C(C=CC(=C3)[N+]#[C-])CCCC(=O)O

InChI

InChI=1S/C22H22N2O5/c1-14(17-6-4-7-19-21(17)29-12-11-28-19)22(27)24-18-13-16(23-2)10-9-15(18)5-3-8-20(25)26/h4,6-7,9-10,13-14H,3,5,8,11-12H2,1H3,(H,24,27)(H,25,26)