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

Systemtic Name: 4-[2-(4,4-diethylcyclohexyl)-4-(4-methoxypiperidin-1-yl)phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-(4,4-diethylcyclohexyl)-4-(4-methoxy-1-piperidyl)phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-(4,4-diethylcyclohexyl)-4-(4-methoxy-1-piperidinyl)phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(4,4-diethylcyclohexyl)-4-(4-methoxypiperidin-1-yl)phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-(4,4-diethylcyclohexyl)-4-(4-methoxypiperidino)phenyl]piperazine-1-carboxylic acid Formula: C27H43N3O3 MolecularWeight: 457.64862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(CC1)C2=C(C=CC(=C2)N3CCC(CC3)OC)N4CCN(CC4)C(=O)O)CC

Isomeric SMILES

CCC1(CCC(CC1)C2=C(C=CC(=C2)N3CCC(CC3)OC)N4CCN(CC4)C(=O)O)CC

InChI

InChI=1S/C27H43N3O3/c1-4-27(5-2)12-8-21(9-13-27)24-20-22(28-14-10-23(33-3)11-15-28)6-7-25(24)29-16-18-30(19-17-29)26(31)32/h6-7,20-21,23H,4-5,8-19H2,1-3H3,(H,31,32)