2-azanyl-2-(hydroxymethyl)propane-1,3-diol; 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylic acid

Systemtic Name: 2-azanyl-2-(hydroxymethyl)propane-1,3-diol; 4-cyano-4-(3-cyclopentyloxy-4-methoxy-phenyl)cyclohexane-1-carboxylic acid Openeye Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid CAS Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-cyclohexanecarboxylic acid IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylic acid Traditional Name: 2-amino-2-methylol-propane-1,3-diol; 4-cyano-4-[3-(cyclopentoxy)-4-methoxy-phenyl]cyclohexanecarboxylic acid Formula: C24H36N2O7 MolecularWeight: 464.55184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#N)OC3CCCC3.C(C(CO)(CO)N)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)C(=O)O)C#N)OC3CCCC3.C(C(CO)(CO)N)O

InChI

InChI=1S/C20H25NO4.C4H11NO3/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23;5-4(1-6,2-7)3-8/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23);6-8H,1-3,5H2