(2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 3-ethoxybenzo[b]acridin-5-ium-12-carboxylate

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 3-ethoxybenzo[b]acridin-5-ium-12-carboxylate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 3-ethoxybenzo[b]acridin-5-ium-12-carboxylate CAS Name: 3-ethoxy-12-benzo[b]acridin-5-iumcarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-ethoxybenzo[b]acridin-5-ium-12-carboxylate Traditional Name: 3-ethoxybenz[b]acridin-5-ium-12-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester Formula: C36H30NO5+ MolecularWeight: 556.6271

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=[NH+]C3=CC4=CC=CC=C4C=C3C(=C2C=C1)C(=O)OC5=C(C=C(C=C5C)C(=O)OCC6=CC=CC=C6)C

Isomeric SMILES

CCOC1=CC2=[NH+]C3=CC4=CC=CC=C4C=C3C(=C2C=C1)C(=O)OC5=C(C=C(C=C5C)C(=O)OCC6=CC=CC=C6)C

InChI

InChI=1S/C36H29NO5/c1-4-40-28-14-15-29-32(20-28)37-31-19-26-13-9-8-12-25(26)18-30(31)33(29)36(39)42-34-22(2)16-27(17-23(34)3)35(38)41-21-24-10-6-5-7-11-24/h5-20H,4,21H2,1-3H3/p+1