[5-(3-phenylpropoxy)oxolan-3-yl]methyl 3-azanyl-2-methyl-pyridine-4-carboxylate

Systemtic Name: [5-(3-phenylpropoxy)oxolan-3-yl]methyl 3-azanyl-2-methyl-pyridine-4-carboxylate Openeye Name: [5-(3-phenylpropoxy)tetrahydrofuran-3-yl]methyl 3-amino-2-methyl-pyridine-4-carboxylate CAS Name: 3-amino-2-methyl-4-pyridinecarboxylic acid [5-(3-phenylpropoxy)-3-oxolanyl]methyl ester IUPAC Name: [5-(3-phenylpropoxy)oxolan-3-yl]methyl 3-amino-2-methylpyridine-4-carboxylate Traditional Name: 3-amino-2-methyl-isonicotinic acid [5-(3-phenylpropoxy)tetrahydrofuran-3-yl]methyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1N)C(=O)OCC2CC(OC2)OCCCC3=CC=CC=C3

Isomeric SMILES

CC1=NC=CC(=C1N)C(=O)OCC2CC(OC2)OCCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O4/c1-15-20(22)18(9-10-23-15)21(24)27-14-17-12-19(26-13-17)25-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,17,19H,5,8,11-14,22H2,1H3