2-[2-(4,4-diethylcyclohexyl)-4-(3-methoxypyrrolidin-1-yl)phenyl]piperazine-1-carboxylic acid

Systemtic Name: 2-[2-(4,4-diethylcyclohexyl)-4-(3-methoxypyrrolidin-1-yl)phenyl]piperazine-1-carboxylic acid Openeye Name: 2-[2-(4,4-diethylcyclohexyl)-4-(3-methoxypyrrolidin-1-yl)phenyl]piperazine-1-carboxylic acid CAS Name: 2-[2-(4,4-diethylcyclohexyl)-4-(3-methoxy-1-pyrrolidinyl)phenyl]-1-piperazinecarboxylic acid IUPAC Name: 2-[2-(4,4-diethylcyclohexyl)-4-(3-methoxypyrrolidin-1-yl)phenyl]piperazine-1-carboxylic acid Traditional Name: 2-[2-(4,4-diethylcyclohexyl)-4-(3-methoxypyrrolidino)phenyl]piperazine-1-carboxylic acid Formula: C26H41N3O3 MolecularWeight: 443.62204

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(CC1)C2=C(C=CC(=C2)N3CCC(C3)OC)C4CNCCN4C(=O)O)CC

Isomeric SMILES

CCC1(CCC(CC1)C2=C(C=CC(=C2)N3CCC(C3)OC)C4CNCCN4C(=O)O)CC

InChI

InChI=1S/C26H41N3O3/c1-4-26(5-2)11-8-19(9-12-26)23-16-20(28-14-10-21(18-28)32-3)6-7-22(23)24-17-27-13-15-29(24)25(30)31/h6-7,16,19,21,24,27H,4-5,8-15,17-18H2,1-3H3,(H,30,31)