methyl 8-methoxy-3-oxidanyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-4,5-dihydro-3H-1-benzoxepine-2-carboxylate

Systemtic Name: methyl 8-methoxy-3-oxidanyl-2-[3-(4-phenylpiperazin-1-yl)propyl]-4,5-dihydro-3H-1-benzoxepine-2-carboxylate Openeye Name: methyl 3-hydroxy-8-methoxy-2-[3-(4-phenylpiperazin-1-yl)propyl]-4,5-dihydro-3H-1-benzoxepine-2-carboxylate CAS Name: 3-hydroxy-8-methoxy-2-[3-(4-phenyl-1-piperazinyl)propyl]-4,5-dihydro-3H-1-benzoxepin-2-carboxylic acid methyl ester IUPAC Name: methyl 3-hydroxy-8-methoxy-2-[3-(4-phenylpiperazin-1-yl)propyl]-4,5-dihydro-3H-1-benzoxepine-2-carboxylate Traditional Name: 3-hydroxy-8-methoxy-2-[3-(4-phenylpiperazino)propyl]-4,5-dihydro-3H-1-benzoxepin-2-carboxylic acid methyl ester Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC(C(O2)(CCCN3CCN(CC3)C4=CC=CC=C4)C(=O)OC)O)C=C1

Isomeric SMILES

COC1=CC2=C(CCC(C(O2)(CCCN3CCN(CC3)C4=CC=CC=C4)C(=O)OC)O)C=C1

InChI

InChI=1S/C26H34N2O5/c1-31-22-11-9-20-10-12-24(29)26(25(30)32-2,33-23(20)19-22)13-6-14-27-15-17-28(18-16-27)21-7-4-3-5-8-21/h3-5,7-9,11,19,24,29H,6,10,12-18H2,1-2H3