propyl 4-[(2,3,4,5-tetradeuterio-6-oxidanyl-phenyl)methylamino]benzoate

Systemtic Name: propyl 4-[(2,3,4,5-tetradeuterio-6-oxidanyl-phenyl)methylamino]benzoate Openeye Name: propyl 4-[(2,3,4,5-tetradeuterio-6-hydroxy-phenyl)methylamino]benzoate CAS Name: 4-[(2,3,4,5-tetradeuterio-6-hydroxyphenyl)methylamino]benzoic acid propyl ester IUPAC Name: propyl 4-[(2,3,4,5-tetradeuterio-6-hydroxyphenyl)methylamino]benzoate Traditional Name: 4-[(2,3,4,5-tetradeuterio-6-hydroxy-benzyl)amino]benzoic acid propyl ester Formula: C17H19NO3 MolecularWeight: 289.362307

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NCC2=CC=CC=C2O

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])CNC2=CC=C(C=C2)C(=O)OCCC)O)[2H])[2H]

InChI

InChI=1S/C17H19NO3/c1-2-11-21-17(20)13-7-9-15(10-8-13)18-12-14-5-3-4-6-16(14)19/h3-10,18-19H,2,11-12H2,1H3/i3D,4D,5D,6D