[2-[(3-cyclopropyl-3,5,5-trimethyl-cyclohexyl)carbamoyl]-4-methyl-pyridin-3-yl] ethanoate

Systemtic Name: [2-[(3-cyclopropyl-3,5,5-trimethyl-cyclohexyl)carbamoyl]-4-methyl-pyridin-3-yl] ethanoate Openeye Name: [2-[(3-cyclopropyl-3,5,5-trimethyl-cyclohexyl)carbamoyl]-4-methyl-3-pyridyl] acetate CAS Name: acetic acid [2-[[(3-cyclopropyl-3,5,5-trimethylcyclohexyl)amino]-oxomethyl]-4-methyl-3-pyridinyl] ester IUPAC Name: [2-[(3-cyclopropyl-3,5,5-trimethylcyclohexyl)carbamoyl]-4-methylpyridin-3-yl] acetate Traditional Name: acetic acid [2-[(3-cyclopropyl-3,5,5-trimethyl-cyclohexyl)carbamoyl]-4-methyl-3-pyridyl] ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC=C1)C(=O)NC2CC(CC(C2)(C)C3CC3)(C)C)OC(=O)C

Isomeric SMILES

CC1=C(C(=NC=C1)C(=O)NC2CC(CC(C2)(C)C3CC3)(C)C)OC(=O)C

InChI

InChI=1S/C21H30N2O3/c1-13-8-9-22-17(18(13)26-14(2)24)19(25)23-16-10-20(3,4)12-21(5,11-16)15-6-7-15/h8-9,15-16H,6-7,10-12H2,1-5H3,(H,23,25)