(9-methyl-1,10-phenanthrolin-2-yl)methyl 3,5-bis[(3,5-dimethoxyphenyl)carbonylamino]-4-methyl-benzoate

Systemtic Name: (9-methyl-1,10-phenanthrolin-2-yl)methyl 3,5-bis[(3,5-dimethoxyphenyl)carbonylamino]-4-methyl-benzoate Openeye Name: (9-methyl-1,10-phenanthrolin-2-yl)methyl 3,5-bis[(3,5-dimethoxybenzoyl)amino]-4-methyl-benzoate CAS Name: 3,5-bis[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-4-methylbenzoic acid (9-methyl-1,10-phenanthrolin-2-yl)methyl ester IUPAC Name: (9-methyl-1,10-phenanthrolin-2-yl)methyl 3,5-bis[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate Traditional Name: 3,5-bis[(3,5-dimethoxybenzoyl)amino]-4-methyl-benzoic acid (9-methyl-1,10-phenanthrolin-2-yl)methyl ester Formula: C40H36N4O8 MolecularWeight: 700.73584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)COC(=O)C4=CC(=C(C(=C4)NC(=O)C5=CC(=CC(=C5)OC)OC)C)NC(=O)C6=CC(=CC(=C6)OC)OC

Isomeric SMILES

CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)COC(=O)C4=CC(=C(C(=C4)NC(=O)C5=CC(=CC(=C5)OC)OC)C)NC(=O)C6=CC(=CC(=C6)OC)OC

InChI

InChI=1S/C40H36N4O8/c1-22-7-8-24-9-10-25-11-12-29(42-37(25)36(24)41-22)21-52-40(47)28-17-34(43-38(45)26-13-30(48-3)19-31(14-26)49-4)23(2)35(18-28)44-39(46)27-15-32(50-5)20-33(16-27)51-6/h7-20H,21H2,1-6H3,(H,43,45)(H,44,46)