methyl 2-(2-methanoylphenyl)-5-[(2-methylpropanoylamino)methyl]benzoate

Systemtic Name: methyl 2-(2-methanoylphenyl)-5-[(2-methylpropanoylamino)methyl]benzoate Openeye Name: methyl 2-(2-formylphenyl)-5-[(2-methylpropanoylamino)methyl]benzoate CAS Name: 2-(2-formylphenyl)-5-[[(2-methyl-1-oxopropyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-(2-formylphenyl)-5-[(2-methylpropanoylamino)methyl]benzoate Traditional Name: 2-(2-formylphenyl)-5-[(isobutyrylamino)methyl]benzoic acid methyl ester Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCC1=CC(=C(C=C1)C2=CC=CC=C2C=O)C(=O)OC

Isomeric SMILES

CC(C)C(=O)NCC1=CC(=C(C=C1)C2=CC=CC=C2C=O)C(=O)OC

InChI

InChI=1S/C20H21NO4/c1-13(2)19(23)21-11-14-8-9-17(18(10-14)20(24)25-3)16-7-5-4-6-15(16)12-22/h4-10,12-13H,11H2,1-3H3,(H,21,23)