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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1CNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=CC=C1CNC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C21H31NO4/c1-2-3-4-9-14-26-19-13-8-5-10-16(19)15-22-20(23)17-11-6-7-12-18(17)21(24)25/h5,8,10,13,17-18H,2-4,6-7,9,11-12,14-15H2,1H3,(H,22,23)(H,24,25)/t17-,18+/m0/s1