2-[furan-2-ylmethyl-[1-(4-methoxyphenyl)-3-methyl-but-3-enyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[furan-2-ylmethyl-[1-(4-methoxyphenyl)-3-methyl-but-3-enyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[2-furylmethyl-[1-(4-methoxyphenyl)-3-methyl-but-3-enyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[2-furanylmethyl-[1-(4-methoxyphenyl)-3-methylbut-3-enyl]amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[furan-2-ylmethyl-[1-(4-methoxyphenyl)-3-methylbut-3-enyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[2-furfuryl-[1-(4-methoxyphenyl)-3-methyl-but-3-enyl]carbamoyl]cyclohexanecarboxylic acid Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CC(C1=CC=C(C=C1)OC)N(CC2=CC=CO2)C(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CC(=C)CC(C1=CC=C(C=C1)OC)N(CC2=CC=CO2)C(=O)C3CCCCC3C(=O)O

InChI

InChI=1S/C25H31NO5/c1-17(2)15-23(18-10-12-19(30-3)13-11-18)26(16-20-7-6-14-31-20)24(27)21-8-4-5-9-22(21)25(28)29/h6-7,10-14,21-23H,1,4-5,8-9,15-16H2,2-3H3,(H,28,29)