(1R,2S)-2-[(3-chloranyl-5-methoxy-4-propoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(3-chloranyl-5-methoxy-4-propoxy-phenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(3-chloro-5-methoxy-4-propoxy-phenyl)methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[(3-chloro-5-methoxy-4-propoxyphenyl)methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[(3-chloro-5-methoxy-4-propoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(3-chloro-5-methoxy-4-propoxy-benzyl)carbamoyl]cyclohexanecarboxylic acid Formula: C19H26ClNO5 MolecularWeight: 383.86644

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)CNC(=O)C2CCCCC2C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)CNC(=O)[C@H]2CCCC[C@H]2C(=O)O)OC

InChI

InChI=1S/C19H26ClNO5/c1-3-8-26-17-15(20)9-12(10-16(17)25-2)11-21-18(22)13-6-4-5-7-14(13)19(23)24/h9-10,13-14H,3-8,11H2,1-2H3,(H,21,22)(H,23,24)/t13-,14+/m0/s1