benzoic acid; 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol

Systemtic Name: benzoic acid; 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol Openeye Name: 1-(2-allylphenoxy)-3-(isopropylamino)propan-2-ol; benzoic acid CAS Name: benzoic acid; 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)-2-propanol IUPAC Name: benzoic acid; 1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol Traditional Name: 1-(2-allylphenoxy)-3-(isopropylamino)propan-2-ol; benzoic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC=C1CC=C)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)NCC(COC1=CC=CC=C1CC=C)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H23NO2.C7H6O2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;8-7(9)6-4-2-1-3-5-6/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1-5H,(H,8,9)