methyl 3-[[(3-methylphenyl)carbonylamino]methyl]-5-(pyridin-4-ylcarbonylamino)benzoate

Systemtic Name: methyl 3-[[(3-methylphenyl)carbonylamino]methyl]-5-(pyridin-4-ylcarbonylamino)benzoate Openeye Name: methyl 3-[[(3-methylbenzoyl)amino]methyl]-5-(pyridine-4-carbonylamino)benzoate CAS Name: 3-[[[(3-methylphenyl)-oxomethyl]amino]methyl]-5-[[oxo(pyridin-4-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[(3-methylbenzoyl)amino]methyl]-5-(pyridine-4-carbonylamino)benzoate Traditional Name: 3-isonicotinamido-5-[(m-toluoylamino)methyl]benzoic acid methyl ester Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)C3=CC=NC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCC2=CC(=CC(=C2)C(=O)OC)NC(=O)C3=CC=NC=C3

InChI

InChI=1S/C23H21N3O4/c1-15-4-3-5-18(10-15)21(27)25-14-16-11-19(23(29)30-2)13-20(12-16)26-22(28)17-6-8-24-9-7-17/h3-13H,14H2,1-2H3,(H,25,27)(H,26,28)