ethanedioic acid; 1-[(2-methylcyclohexyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol

Systemtic Name: ethanedioic acid; 1-[(2-methylcyclohexyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol Openeye Name: 1-(2-isopropylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol; oxalic acid CAS Name: 1-[(2-methylcyclohexyl)amino]-3-(2-propan-2-ylphenoxy)-2-propanol; oxalic acid IUPAC Name: 1-[(2-methylcyclohexyl)amino]-3-(2-propan-2-ylphenoxy)propan-2-ol; oxalic acid Traditional Name: 1-(2-isopropylphenoxy)-3-[(2-methylcyclohexyl)amino]propan-2-ol; oxalic acid Formula: C21H33NO6 MolecularWeight: 395.48982

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NCC(COC2=CC=CC=C2C(C)C)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1CCCCC1NCC(COC2=CC=CC=C2C(C)C)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H31NO2.C2H2O4/c1-14(2)17-9-5-7-11-19(17)22-13-16(21)12-20-18-10-6-4-8-15(18)3;3-1(4)2(5)6/h5,7,9,11,14-16,18,20-21H,4,6,8,10,12-13H2,1-3H3;(H,3,4)(H,5,6)