ethyl 6-bromanyl-2-[(4-ethoxycarbonyl-4-phenyl-piperidin-1-yl)methyl]-5-oxidanyl-1-(phenylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-[(4-ethoxycarbonyl-4-phenyl-piperidin-1-yl)methyl]-5-oxidanyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-6-bromo-2-[(4-ethoxycarbonyl-4-phenyl-1-piperidyl)methyl]-5-hydroxy-indole-3-carboxylate CAS Name: 6-bromo-2-[(4-ethoxycarbonyl-4-phenyl-1-piperidinyl)methyl]-5-hydroxy-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-bromo-2-[(4-ethoxycarbonyl-4-phenylpiperidin-1-yl)methyl]-5-hydroxyindole-3-carboxylate Traditional Name: 1-benzyl-6-bromo-2-[(4-carbethoxy-4-phenyl-piperidino)methyl]-5-hydroxy-indole-3-carboxylic acid ethyl ester Formula: C33H35BrN2O5 MolecularWeight: 619.5454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CN4CCC(CC4)(C5=CC=CC=C5)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CN4CCC(CC4)(C5=CC=CC=C5)C(=O)OCC

InChI

InChI=1S/C33H35BrN2O5/c1-3-40-31(38)30-25-19-29(37)26(34)20-27(25)36(21-23-11-7-5-8-12-23)28(30)22-35-17-15-33(16-18-35,32(39)41-4-2)24-13-9-6-10-14-24/h5-14,19-20,37H,3-4,15-18,21-22H2,1-2H3