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

Systemtic Name: (1R,2S)-2-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1R,2S)-2-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid CAS Name: (1R,2S)-2-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1R,2S)-2-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1R,2S)-2-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamoyl]cyclohexanecarboxylic acid Formula: C21H31N3O4 MolecularWeight: 389.48854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4/c1-3-24(4-2)14-13-22-19(25)15-9-11-16(12-10-15)23-20(26)17-7-5-6-8-18(17)21(27)28/h9-12,17-18H,3-8,13-14H2,1-2H3,(H,22,25)(H,23,26)(H,27,28)/t17-,18+/m0/s1