(E)-2-(3-azanyloxypropyl)-3-cyclohexyl-5-(furan-2-yl)-4-imidazol-1-yl-pent-2-enoic acid

Systemtic Name: (E)-2-(3-azanyloxypropyl)-3-cyclohexyl-5-(furan-2-yl)-4-imidazol-1-yl-pent-2-enoic acid Openeye Name: (E)-2-(3-aminooxypropyl)-3-cyclohexyl-5-(2-furyl)-4-imidazol-1-yl-pent-2-enoic acid CAS Name: (E)-2-(3-aminooxypropyl)-3-cyclohexyl-5-(2-furanyl)-4-(1-imidazolyl)-2-pentenoic acid IUPAC Name: (E)-2-(3-aminooxypropyl)-3-cyclohexyl-5-(furan-2-yl)-4-imidazol-1-ylpent-2-enoic acid Traditional Name: (E)-2-(3-aminooxypropyl)-3-cyclohexyl-5-(2-furyl)-4-imidazol-1-yl-pent-2-enoic acid Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=C(CCCON)C(=O)O)C(CC2=CC=CO2)N3C=CN=C3

Isomeric SMILES

C1CCC(CC1)/C(=C(/CCCON)\C(=O)O)/C(CC2=CC=CO2)N3C=CN=C3

InChI

InChI=1S/C21H29N3O4/c22-28-13-5-9-18(21(25)26)20(16-6-2-1-3-7-16)19(24-11-10-23-15-24)14-17-8-4-12-27-17/h4,8,10-12,15-16,19H,1-3,5-7,9,13-14,22H2,(H,25,26)/b20-18+