(2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 2-methoxybenzo[b]acridin-5-ium-12-carboxylate

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 2-methoxybenzo[b]acridin-5-ium-12-carboxylate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 2-methoxybenzo[b]acridin-5-ium-12-carboxylate CAS Name: 2-methoxy-12-benzo[b]acridin-5-iumcarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-methoxybenzo[b]acridin-5-ium-12-carboxylate Traditional Name: 2-methoxybenz[b]acridin-5-ium-12-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester Formula: C35H28NO5+ MolecularWeight: 542.60052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[NH+]C4=CC5=CC=CC=C5C=C42)OC)C)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[NH+]C4=CC5=CC=CC=C5C=C42)OC)C)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C35H27NO5/c1-21-15-26(34(37)40-20-23-9-5-4-6-10-23)16-22(2)33(21)41-35(38)32-28-17-24-11-7-8-12-25(24)18-31(28)36-30-14-13-27(39-3)19-29(30)32/h4-19H,20H2,1-3H3/p+1