(2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 3-(3-azidopropoxy)acridine-9-carboxylate

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 3-(3-azidopropoxy)acridine-9-carboxylate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 3-(3-azidopropoxy)acridine-9-carboxylate CAS Name: 3-(3-azidopropoxy)-9-acridinecarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-(3-azidopropoxy)acridine-9-carboxylate Traditional Name: 3-(3-azidopropoxy)acridine-9-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester Formula: C33H28N4O5 MolecularWeight: 560.59922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC(=CC3=NC4=CC=CC=C42)OCCCN=[N+]=[N-])C)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC(=CC3=NC4=CC=CC=C42)OCCCN=[N+]=[N-])C)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H28N4O5/c1-21-17-24(32(38)41-20-23-9-4-3-5-10-23)18-22(2)31(21)42-33(39)30-26-11-6-7-12-28(26)36-29-19-25(13-14-27(29)30)40-16-8-15-35-37-34/h3-7,9-14,17-19H,8,15-16,20H2,1-2H3