(2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 3-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 3-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 3-[(E)-2-(4-benzyloxyphenyl)vinyl]acridine-9-carboxylate CAS Name: 3-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]-9-acridinecarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-[(E)-2-(4-phenylmethoxyphenyl)ethenyl]acridine-9-carboxylate Traditional Name: 3-[(E)-2-(4-benzoxyphenyl)vinyl]acridine-9-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester Formula: C45H35NO5 MolecularWeight: 669.7631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC(=CC3=NC4=CC=CC=C42)C=CC5=CC=C(C=C5)OCC6=CC=CC=C6)C)C(=O)OCC7=CC=CC=C7

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=CC(=CC3=NC4=CC=CC=C42)/C=C/C5=CC=C(C=C5)OCC6=CC=CC=C6)C)C(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C45H35NO5/c1-30-25-36(44(47)50-29-35-13-7-4-8-14-35)26-31(2)43(30)51-45(48)42-38-15-9-10-16-40(38)46-41-27-33(21-24-39(41)42)18-17-32-19-22-37(23-20-32)49-28-34-11-5-3-6-12-34/h3-27H,28-29H2,1-2H3/b18-17+