3-(4-phenylpiperidin-1-yl)propyl 7-methoxy-2-methyl-3-oxidanyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: 3-(4-phenylpiperidin-1-yl)propyl 7-methoxy-2-methyl-3-oxidanyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Openeye Name: 3-(4-phenyl-1-piperidyl)propyl 3-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate CAS Name: 3-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-(4-phenyl-1-piperidinyl)propyl ester IUPAC Name: 3-(4-phenylpiperidin-1-yl)propyl 3-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-hydroxy-7-methoxy-2-methyl-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylic acid 3-(4-phenylpiperidino)propyl ester Formula: C26H33NO5S MolecularWeight: 471.60892

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCCCN3CCC(CC3)C4=CC=CC=C4)O

Isomeric SMILES

CC1C(C(SC2=C(O1)C=CC(=C2)OC)C(=O)OCCCN3CCC(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C26H33NO5S/c1-18-24(28)25(33-23-17-21(30-2)9-10-22(23)32-18)26(29)31-16-6-13-27-14-11-20(12-15-27)19-7-4-3-5-8-19/h3-5,7-10,17-18,20,24-25,28H,6,11-16H2,1-2H3