ethyl 3-methyl-4-[3-[(phenylmethyl)amino]propoxy]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-methyl-4-[3-[(phenylmethyl)amino]propoxy]-1-benzofuran-2-carboxylate Openeye Name: ethyl 4-[3-(benzylamino)propoxy]-3-methyl-benzofuran-2-carboxylate CAS Name: 3-methyl-4-[3-[(phenylmethyl)amino]propoxy]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(benzylamino)propoxy]-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 4-[3-(benzylamino)propoxy]-3-methyl-coumarilic acid ethyl ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(O1)C=CC=C2OCCCNCC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(O1)C=CC=C2OCCCNCC3=CC=CC=C3)C

InChI

InChI=1S/C22H25NO4/c1-3-25-22(24)21-16(2)20-18(11-7-12-19(20)27-21)26-14-8-13-23-15-17-9-5-4-6-10-17/h4-7,9-12,23H,3,8,13-15H2,1-2H3