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

Systemtic Name: (2,6-dimethyl-4-phenylmethoxycarbonyl-phenyl) 3-(2-diethylaminoethyloxy)benzo[b]acridin-5-ium-12-carboxylate Openeye Name: (4-benzyloxycarbonyl-2,6-dimethyl-phenyl) 3-(2-diethylaminoethyloxy)benzo[b]acridin-5-ium-12-carboxylate CAS Name: 3-(2-diethylaminoethyloxy)-12-benzo[b]acridin-5-iumcarboxylic acid (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) ester IUPAC Name: (2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-(2-diethylaminoethyloxy)benzo[b]acridin-5-ium-12-carboxylate Traditional Name: 3-(2-diethylaminoethyloxy)benz[b]acridin-5-ium-12-carboxylic acid (4-carbobenzoxy-2,6-dimethyl-phenyl) ester Formula: C40H39N2O5+ MolecularWeight: 627.74806

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)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

CCN(CC)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/C40H38N2O5/c1-5-42(6-2)18-19-45-32-16-17-33-36(24-32)41-35-23-30-15-11-10-14-29(30)22-34(35)37(33)40(44)47-38-26(3)20-31(21-27(38)4)39(43)46-25-28-12-8-7-9-13-28/h7-17,20-24H,5-6,18-19,25H2,1-4H3/p+1