2-[[1-[(4-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]-3-ethylsulfonyl-propanoic acid

Systemtic Name: 2-[[1-[(4-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]-3-ethylsulfonyl-propanoic acid Openeye Name: 2-[[1-[(4-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]-3-ethylsulfonyl-propanoic acid CAS Name: 2-[[1-[[(4-ethoxycarbonylcyclohexyl)amino]-oxomethyl]cyclopentyl]methyl]-3-ethylsulfonylpropanoic acid IUPAC Name: 2-[[1-[(4-ethoxycarbonylcyclohexyl)carbamoyl]cyclopentyl]methyl]-3-ethylsulfonylpropanoic acid Traditional Name: 2-[[1-[(4-carbethoxycyclohexyl)carbamoyl]cyclopentyl]methyl]-3-esyl-propionic acid Formula: C21H35NO7S MolecularWeight: 445.5701

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)NC(=O)C2(CCCC2)CC(CS(=O)(=O)CC)C(=O)O

Isomeric SMILES

CCOC(=O)C1CCC(CC1)NC(=O)C2(CCCC2)CC(CS(=O)(=O)CC)C(=O)O

InChI

InChI=1S/C21H35NO7S/c1-3-29-19(25)15-7-9-17(10-8-15)22-20(26)21(11-5-6-12-21)13-16(18(23)24)14-30(27,28)4-2/h15-17H,3-14H2,1-2H3,(H,22,26)(H,23,24)