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

Systemtic Name: (1S,2R)-2-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[[2-(4-hydroxyphenyl)ethylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[2-(4-hydroxyphenyl)ethylcarbamoyl]cyclohexanecarboxylic acid Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCCC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCCC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C16H21NO4/c18-12-7-5-11(6-8-12)9-10-17-15(19)13-3-1-2-4-14(13)16(20)21/h5-8,13-14,18H,1-4,9-10H2,(H,17,19)(H,20,21)/t13-,14+/m1/s1