ethyl 5-[(2S)-3-(2-dimethylaminoethylamino)-2-oxidanyl-propoxy]-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-3-(2-dimethylaminoethylamino)-2-oxidanyl-propoxy]-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[(2S)-3-(2-dimethylaminoethylamino)-2-hydroxy-propoxy]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[(2S)-3-(2-dimethylaminoethylamino)-2-hydroxypropoxy]-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-3-(2-dimethylaminoethylamino)-2-hydroxypropoxy]-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[(2S)-3-(2-dimethylaminoethylamino)-2-hydroxy-propoxy]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC(CNCCN(C)C)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC[C@H](CNCCN(C)C)O)C3=CC=CC=C3

InChI

InChI=1S/C24H30N2O5/c1-4-29-24(28)22-20-14-19(30-16-18(27)15-25-12-13-26(2)3)10-11-21(20)31-23(22)17-8-6-5-7-9-17/h5-11,14,18,25,27H,4,12-13,15-16H2,1-3H3/t18-/m0/s1