methyl 4-[[[3,5-bis[(4-methoxycarbonylphenyl)methylcarbamoyl]phenyl]carbonylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[3,5-bis[(4-methoxycarbonylphenyl)methylcarbamoyl]phenyl]carbonylamino]methyl]benzoate Openeye Name: methyl 4-[[[3,5-bis[(4-methoxycarbonylphenyl)methylcarbamoyl]benzoyl]amino]methyl]benzoate CAS Name: 4-[[[[3,5-bis[[(4-methoxycarbonylphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[3,5-bis[(4-methoxycarbonylphenyl)methylcarbamoyl]benzoyl]amino]methyl]benzoate Traditional Name: 4-[[[3,5-bis[(4-carbomethoxybenzyl)carbamoyl]benzoyl]amino]methyl]benzoic acid methyl ester Formula: C36H33N3O9 MolecularWeight: 651.66192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)OC)C(=O)NCC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)C2=CC(=CC(=C2)C(=O)NCC3=CC=C(C=C3)C(=O)OC)C(=O)NCC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C36H33N3O9/c1-46-34(43)25-10-4-22(5-11-25)19-37-31(40)28-16-29(32(41)38-20-23-6-12-26(13-7-23)35(44)47-2)18-30(17-28)33(42)39-21-24-8-14-27(15-9-24)36(45)48-3/h4-18H,19-21H2,1-3H3,(H,37,40)(H,38,41)(H,39,42)