(3-methylquinoxalin-2-yl)methyl 4-[(3-methylquinoxalin-2-yl)methylamino]benzoate

Systemtic Name: (3-methylquinoxalin-2-yl)methyl 4-[(3-methylquinoxalin-2-yl)methylamino]benzoate Openeye Name: (3-methylquinoxalin-2-yl)methyl 4-[(3-methylquinoxalin-2-yl)methylamino]benzoate CAS Name: 4-[(3-methyl-2-quinoxalinyl)methylamino]benzoic acid (3-methyl-2-quinoxalinyl)methyl ester IUPAC Name: (3-methylquinoxalin-2-yl)methyl 4-[(3-methylquinoxalin-2-yl)methylamino]benzoate Traditional Name: 4-[(3-methylquinoxalin-2-yl)methylamino]benzoic acid (3-methylquinoxalin-2-yl)methyl ester Formula: C27H23N5O2 MolecularWeight: 449.50382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1CNC3=CC=C(C=C3)C(=O)OCC4=NC5=CC=CC=C5N=C4C

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1CNC3=CC=C(C=C3)C(=O)OCC4=NC5=CC=CC=C5N=C4C

InChI

InChI=1S/C27H23N5O2/c1-17-25(31-23-9-5-3-7-21(23)29-17)15-28-20-13-11-19(12-14-20)27(33)34-16-26-18(2)30-22-8-4-6-10-24(22)32-26/h3-14,28H,15-16H2,1-2H3