2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-3-(4-methoxyphenyl)propanoic acid

Systemtic Name: 2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexyl]carbonylamino]-3-(4-methoxyphenyl)propanoic acid Openeye Name: 2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-3-(4-methoxyphenyl)propanoic acid CAS Name: 2-[[[4-ethoxy-1-(mercaptomethyl)cyclohexyl]-oxomethyl]amino]-3-(4-methoxyphenyl)propanoic acid IUPAC Name: 2-[[4-ethoxy-1-(sulfanylmethyl)cyclohexanecarbonyl]amino]-3-(4-methoxyphenyl)propanoic acid Traditional Name: 2-[[4-ethoxy-1-(mercaptomethyl)cyclohexanecarbonyl]amino]-3-(4-methoxyphenyl)propionic acid Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CCC(CC1)(CS)C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)O

Isomeric SMILES

CCOC1CCC(CC1)(CS)C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C20H29NO5S/c1-3-26-16-8-10-20(13-27,11-9-16)19(24)21-17(18(22)23)12-14-4-6-15(25-2)7-5-14/h4-7,16-17,27H,3,8-13H2,1-2H3,(H,21,24)(H,22,23)