[4-[[(3,5-dimethylphenyl)methyl-pyridin-3-ylcarbonyl-amino]methyl]phenyl]methyl 3,5-dimethylbenzoate

Systemtic Name: [4-[[(3,5-dimethylphenyl)methyl-pyridin-3-ylcarbonyl-amino]methyl]phenyl]methyl 3,5-dimethylbenzoate Openeye Name: [4-[[(3,5-dimethylphenyl)methyl-(pyridine-3-carbonyl)amino]methyl]phenyl]methyl 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [4-[[(3,5-dimethylphenyl)methyl-[oxo(3-pyridinyl)methyl]amino]methyl]phenyl]methyl ester IUPAC Name: [4-[[(3,5-dimethylphenyl)methyl-(pyridine-3-carbonyl)amino]methyl]phenyl]methyl 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [4-[[(3,5-dimethylbenzyl)-nicotinoyl-amino]methyl]benzyl] ester Formula: C32H32N2O3 MolecularWeight: 492.60808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CN(CC2=CC=C(C=C2)COC(=O)C3=CC(=CC(=C3)C)C)C(=O)C4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)CN(CC2=CC=C(C=C2)COC(=O)C3=CC(=CC(=C3)C)C)C(=O)C4=CN=CC=C4)C

InChI

InChI=1S/C32H32N2O3/c1-22-12-23(2)15-28(14-22)20-34(31(35)29-6-5-11-33-18-29)19-26-7-9-27(10-8-26)21-37-32(36)30-16-24(3)13-25(4)17-30/h5-18H,19-21H2,1-4H3