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

Systemtic Name: (1S,2R)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid Openeye Name: (1S,2R)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexanecarboxylic acid CAS Name: (1S,2R)-2-[oxo-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methylamino]methyl]-1-cyclohexanecarboxylic acid IUPAC Name: (1S,2R)-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylcarbamoyl]cyclohexane-1-carboxylic acid Traditional Name: (1S,2R)-2-[[4-(2-pyrrolidinoethoxy)benzyl]carbamoyl]cyclohexanecarboxylic acid Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NCC2=CC=C(C=C2)OCCN3CCCC3)C(=O)O

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NCC2=CC=C(C=C2)OCCN3CCCC3)C(=O)O

InChI

InChI=1S/C21H30N2O4/c24-20(18-5-1-2-6-19(18)21(25)26)22-15-16-7-9-17(10-8-16)27-14-13-23-11-3-4-12-23/h7-10,18-19H,1-6,11-15H2,(H,22,24)(H,25,26)/t18-,19+/m1/s1