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

Systemtic Name: (1R,2S)-2-[(3-hexoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(3-hexoxyphenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(3-hexoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(3-hexoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(3-hexoxybenzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C21H31NO4 MolecularWeight: 361.47514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)CNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)CNC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C21H31NO4/c1-2-3-4-7-13-26-17-10-8-9-16(14-17)15-22-20(23)18-11-5-6-12-19(18)21(24)25/h8-10,14,18-19H,2-7,11-13,15H2,1H3,(H,22,23)(H,24,25)/t18-,19+/m0/s1