(E)-3-methoxycarbonyl-4-[(3R,6R)-3-methyl-6-propan-2-yl-cyclohexen-1-yl]but-3-enoic acid

Systemtic Name: (E)-3-methoxycarbonyl-4-[(3R,6R)-3-methyl-6-propan-2-yl-cyclohexen-1-yl]but-3-enoic acid Openeye Name: (E)-4-[(3R,6R)-6-isopropyl-3-methyl-cyclohexen-1-yl]-3-methoxycarbonyl-but-3-enoic acid CAS Name: (E)-3-methoxycarbonyl-4-[(3R,6R)-3-methyl-6-propan-2-yl-1-cyclohexenyl]-3-butenoic acid IUPAC Name: (E)-3-methoxycarbonyl-4-[(3R,6R)-3-methyl-6-propan-2-ylcyclohexen-1-yl]but-3-enoic acid Traditional Name: (E)-3-carbomethoxy-4-[(3R,6R)-6-isopropyl-3-methyl-cyclohexen-1-yl]but-3-enoic acid Formula: C16H24O4 MolecularWeight: 280.35936

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(=C1)C=C(CC(=O)O)C(=O)OC)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@@H](C(=C1)/C=C(\CC(=O)O)/C(=O)OC)C(C)C

InChI

InChI=1S/C16H24O4/c1-10(2)14-6-5-11(3)7-12(14)8-13(9-15(17)18)16(19)20-4/h7-8,10-11,14H,5-6,9H2,1-4H3,(H,17,18)/b13-8+/t11-,14-/m1/s1