3-pyridin-4-ylpropyl 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: 3-pyridin-4-ylpropyl 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: 3-(4-pyridyl)propyl 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-3-methyl-2-benzofurancarboxylic acid 3-pyridin-4-ylpropyl ester IUPAC Name: 3-pyridin-4-ylpropyl 5-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid 3-(4-pyridyl)propyl ester Formula: C18H16ClNO3 MolecularWeight: 329.77754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCCCC3=CC=NC=C3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCCCC3=CC=NC=C3

InChI

InChI=1S/C18H16ClNO3/c1-12-15-11-14(19)4-5-16(15)23-17(12)18(21)22-10-2-3-13-6-8-20-9-7-13/h4-9,11H,2-3,10H2,1H3