(1R,2S)-2-[2-(4-butoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[2-(4-butoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[2-(4-butoxyphenyl)ethylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[2-(4-butoxyphenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[2-(4-butoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[2-(4-butoxyphenyl)ethylcarbamoyl]cyclohexanecarboxylic acid Formula: C20H29NO4 MolecularWeight: 347.44856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CCNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CCNC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C20H29NO4/c1-2-3-14-25-16-10-8-15(9-11-16)12-13-21-19(22)17-6-4-5-7-18(17)20(23)24/h8-11,17-18H,2-7,12-14H2,1H3,(H,21,22)(H,23,24)/t17-,18+/m0/s1