(E)-4-[1-cycloheptyloxy-3-(propan-2-ylamino)propan-2-yl]oxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[1-cycloheptyloxy-3-(propan-2-ylamino)propan-2-yl]oxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[1-(cycloheptoxymethyl)-2-(isopropylamino)ethoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[1-cycloheptyloxy-3-(propan-2-ylamino)propan-2-yl]oxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[1-cycloheptyloxy-3-(propan-2-ylamino)propan-2-yl]oxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[1-(cycloheptoxymethyl)-2-(isopropylamino)ethoxy]-4-keto-but-2-enoic acid Formula: C17H29NO5 MolecularWeight: 327.41586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1CCCCCC1)OC(=O)C=CC(=O)O

Isomeric SMILES

CC(C)NCC(COC1CCCCCC1)OC(=O)/C=C/C(=O)O

InChI

InChI=1S/C17H29NO5/c1-13(2)18-11-15(23-17(21)10-9-16(19)20)12-22-14-7-5-3-4-6-8-14/h9-10,13-15,18H,3-8,11-12H2,1-2H3,(H,19,20)/b10-9+