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

Systemtic Name: methyl 7-methyl-3-oxidanyl-4-[3-(4-phenylpiperidin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Openeye Name: methyl 3-hydroxy-7-methyl-4-[3-(4-phenyl-1-piperidyl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate CAS Name: 3-hydroxy-7-methyl-4-[3-(4-phenyl-1-piperidinyl)propyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-7-methyl-4-[3-(4-phenylpiperidin-1-yl)propyl]-2,3-dihydro-1,5-benzoxathiepine-4-carboxylate Traditional Name: 3-hydroxy-7-methyl-4-[3-(4-phenylpiperidino)propyl]-2,3-dihydro-1,5-benzoxathiepin-4-carboxylic acid methyl ester Formula: C26H33NO4S MolecularWeight: 455.60952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(C(S2)(CCCN3CCC(CC3)C4=CC=CC=C4)C(=O)OC)O

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(C(S2)(CCCN3CCC(CC3)C4=CC=CC=C4)C(=O)OC)O

InChI

InChI=1S/C26H33NO4S/c1-19-9-10-22-23(17-19)32-26(25(29)30-2,24(28)18-31-22)13-6-14-27-15-11-21(12-16-27)20-7-4-3-5-8-20/h3-5,7-10,17,21,24,28H,6,11-16,18H2,1-2H3