4-[[5-(6-azanyl-1,3-benzodioxol-5-yl)-5-methyl-2-propan-2-yl-cyclohexyl]amino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[5-(6-azanyl-1,3-benzodioxol-5-yl)-5-methyl-2-propan-2-yl-cyclohexyl]amino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[5-(6-amino-1,3-benzodioxol-5-yl)-2-isopropyl-5-methyl-cyclohexyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[5-(6-amino-1,3-benzodioxol-5-yl)-5-methyl-2-propan-2-ylcyclohexyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[5-(6-amino-1,3-benzodioxol-5-yl)-5-methyl-2-propan-2-ylcyclohexyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[5-(6-amino-1,3-benzodioxol-5-yl)-2-isopropyl-5-methyl-cyclohexyl]amino]cyclohexanecarboxylic acid Formula: C24H36N2O4 MolecularWeight: 416.55364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(CC1NC2CCC(CC2)C(=O)O)(C)C3=CC4=C(C=C3N)OCO4

Isomeric SMILES

CC(C)C1CCC(CC1NC2CCC(CC2)C(=O)O)(C)C3=CC4=C(C=C3N)OCO4

InChI

InChI=1S/C24H36N2O4/c1-14(2)17-8-9-24(3,18-10-21-22(11-19(18)25)30-13-29-21)12-20(17)26-16-6-4-15(5-7-16)23(27)28/h10-11,14-17,20,26H,4-9,12-13,25H2,1-3H3,(H,27,28)