methyl 6-[2-[(2-acetamidoethanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate

Systemtic Name: methyl 6-[2-[(2-acetamidoethanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[2-[[(2-acetamidoacetyl)amino]methyl]-2,3-dihydrobenzofuran-7-yl]pyridine-3-carboxylate CAS Name: 6-[2-[[(2-acetamido-1-oxoethyl)amino]methyl]-2,3-dihydrobenzofuran-7-yl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[2-[[(2-acetamidoacetyl)amino]methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate Traditional Name: 6-[2-[[(2-acetamidoacetyl)amino]methyl]coumaran-7-yl]nicotinic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NCC1CC2=CC=CC(=C2O1)C3=NC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(=O)NCC(=O)NCC1CC2=CC=CC(=C2O1)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O5/c1-12(24)21-11-18(25)23-10-15-8-13-4-3-5-16(19(13)28-15)17-7-6-14(9-22-17)20(26)27-2/h3-7,9,15H,8,10-11H2,1-2H3,(H,21,24)(H,23,25)