ethyl 4-azanyl-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)benzoate

Systemtic Name: ethyl 4-azanyl-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)benzoate Openeye Name: ethyl 4-amino-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)benzoate CAS Name: 4-amino-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-amino-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)benzoate Traditional Name: 4-amino-3,5-bis(2,3,4,5,6-pentadeuteriophenyl)benzoic acid ethyl ester Formula: C21H19NO2 MolecularWeight: 327.442678

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C(=C1)C2=CC=CC=C2)N)C3=CC=CC=C3

Isomeric SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=CC(=CC(=C2N)C3=C(C(=C(C(=C3[2H])[2H])[2H])[2H])[2H])C(=O)OCC)[2H])[2H]

InChI

InChI=1S/C21H19NO2/c1-2-24-21(23)17-13-18(15-9-5-3-6-10-15)20(22)19(14-17)16-11-7-4-8-12-16/h3-14H,2,22H2,1H3/i3D,4D,5D,6D,7D,8D,9D,10D,11D,12D