(4-tert-butylphenyl)methyl 2-acridin-9-yl-2-(1,3-benzodioxol-5-yl)ethanoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-acridin-9-yl-2-(1,3-benzodioxol-5-yl)ethanoate Openeye Name: (4-tert-butylphenyl)methyl 2-acridin-9-yl-2-(1,3-benzodioxol-5-yl)acetate CAS Name: 2-(9-acridinyl)-2-(1,3-benzodioxol-5-yl)acetic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-acridin-9-yl-2-(1,3-benzodioxol-5-yl)acetate Traditional Name: 2-acridin-9-yl-2-(1,3-benzodioxol-5-yl)acetic acid (4-tert-butylbenzyl) ester Formula: C33H29NO4 MolecularWeight: 503.58766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C(C2=CC3=C(C=C2)OCO3)C4=C5C=CC=CC5=NC6=CC=CC=C64

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C(C2=CC3=C(C=C2)OCO3)C4=C5C=CC=CC5=NC6=CC=CC=C64

InChI

InChI=1S/C33H29NO4/c1-33(2,3)23-15-12-21(13-16-23)19-36-32(35)30(22-14-17-28-29(18-22)38-20-37-28)31-24-8-4-6-10-26(24)34-27-11-7-5-9-25(27)31/h4-18,30H,19-20H2,1-3H3