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

Systemtic Name: (1R,2S)-2-[[3-(2-diethylaminoethyloxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[[3-(2-diethylaminoethyloxy)phenyl]methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[[3-(2-diethylaminoethyloxy)phenyl]methylamino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[[3-(2-diethylaminoethyloxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[[3-(2-diethylaminoethyloxy)benzyl]carbamoyl]cyclohexanecarboxylic acid Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=CC(=C1)CNC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCN(CC)CCOC1=CC=CC(=C1)CNC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C21H32N2O4/c1-3-23(4-2)12-13-27-17-9-7-8-16(14-17)15-22-20(24)18-10-5-6-11-19(18)21(25)26/h7-9,14,18-19H,3-6,10-13,15H2,1-2H3,(H,22,24)(H,25,26)/t18-,19+/m0/s1