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

Systemtic Name: methyl 6-[(2R)-2-[(2,2-dimethylpropanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate Openeye Name: methyl 6-[(2R)-2-[(2,2-dimethylpropanoylamino)methyl]-2,3-dihydrobenzofuran-7-yl]pyridine-3-carboxylate CAS Name: 6-[(2R)-2-[[(2,2-dimethyl-1-oxopropyl)amino]methyl]-2,3-dihydrobenzofuran-7-yl]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(2R)-2-[(2,2-dimethylpropanoylamino)methyl]-2,3-dihydro-1-benzofuran-7-yl]pyridine-3-carboxylate Traditional Name: 6-[(2R)-2-[(pivaloylamino)methyl]coumaran-7-yl]nicotinic acid methyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C(=O)NC[C@H]1CC2=CC=CC(=C2O1)C3=NC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H24N2O4/c1-21(2,3)20(25)23-12-15-10-13-6-5-7-16(18(13)27-15)17-9-8-14(11-22-17)19(24)26-4/h5-9,11,15H,10,12H2,1-4H3,(H,23,25)/t15-/m1/s1