(1R,2S)-2-[[4-(2-diethylaminoethyloxycarbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[[4-(2-diethylaminoethyloxycarbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[[4-(2-diethylaminoethyloxycarbonyl)phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[4-[2-diethylaminoethyloxy(oxo)methyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[[4-(2-diethylaminoethyloxycarbonyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[[4-(2-diethylaminoethyloxycarbonyl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CCCCC2C(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2CCCC[C@H]2C(=O)O

InChI

InChI=1S/C21H30N2O5/c1-3-23(4-2)13-14-28-21(27)15-9-11-16(12-10-15)22-19(24)17-7-5-6-8-18(17)20(25)26/h9-12,17-18H,3-8,13-14H2,1-2H3,(H,22,24)(H,25,26)/t17-,18+/m0/s1