(1R,2S)-2-[(3-butoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(3-butoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(3-butoxyphenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(3-butoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(3-butoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(3-butoxybenzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)CNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4/c1-2-3-11-24-15-8-6-7-14(12-15)13-20-18(21)16-9-4-5-10-17(16)19(22)23/h6-8,12,16-17H,2-5,9-11,13H2,1H3,(H,20,21)(H,22,23)/t16-,17+/m0/s1