(1S,2R)-2-[[4-(3-phenylpropoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: (1S,2R)-2-[[4-(3-phenylpropoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[[4-(3-phenylpropoxy)phenyl]methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[oxo-[[4-(3-phenylpropoxy)phenyl]methylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[[4-(3-phenylpropoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[[4-(3-phenylpropoxy)benzyl]carbamoyl]cyclohexanecarboxylic acid Formula: C24H29NO4 MolecularWeight: 395.49136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC=C(C=C2)OCCCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC2=CC=C(C=C2)OCCCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C24H29NO4/c26-23(21-10-4-5-11-22(21)24(27)28)25-17-19-12-14-20(15-13-19)29-16-6-9-18-7-2-1-3-8-18/h1-3,7-8,12-15,21-22H,4-6,9-11,16-17H2,(H,25,26)(H,27,28)/t21-,22+/m1/s1