[4-ethyl-1-[(4-propan-2-ylphenyl)amino]cyclohexyl]phosphonic acid; propan-2-ol

Systemtic Name: [4-ethyl-1-[(4-propan-2-ylphenyl)amino]cyclohexyl]phosphonic acid; propan-2-ol Openeye Name: [4-ethyl-1-(4-isopropylanilino)cyclohexyl]phosphonic acid; propan-2-ol CAS Name: [4-ethyl-1-(4-propan-2-ylanilino)cyclohexyl]phosphonic acid; 2-propanol IUPAC Name: [4-ethyl-1-(4-propan-2-ylanilino)cyclohexyl]phosphonic acid; propan-2-ol Traditional Name: (1-cumidino-4-ethyl-cyclohexyl)phosphonic acid; propan-2-ol Formula: C20H36NO4P MolecularWeight: 385.477901

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)(NC2=CC=C(C=C2)C(C)C)P(=O)(O)O.CC(C)O

Isomeric SMILES

CCC1CCC(CC1)(NC2=CC=C(C=C2)C(C)C)P(=O)(O)O.CC(C)O

InChI

InChI=1S/C17H28NO3P.C3H8O/c1-4-14-9-11-17(12-10-14,22(19,20)21)18-16-7-5-15(6-8-16)13(2)3;1-3(2)4/h5-8,13-14,18H,4,9-12H2,1-3H3,(H2,19,20,21);3-4H,1-2H3