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

Systemtic Name: ethyl 6-bromanyl-4-[(4-ethoxycarbonyl-4-phenyl-piperidin-1-yl)methyl]-2-methyl-5-oxidanyl-1-(phenylmethyl)indole-3-carboxylate Openeye Name: ethyl 1-benzyl-6-bromo-4-[(4-ethoxycarbonyl-4-phenyl-1-piperidyl)methyl]-5-hydroxy-2-methyl-indole-3-carboxylate CAS Name: 6-bromo-4-[(4-ethoxycarbonyl-4-phenyl-1-piperidinyl)methyl]-5-hydroxy-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-bromo-4-[(4-ethoxycarbonyl-4-phenylpiperidin-1-yl)methyl]-5-hydroxy-2-methylindole-3-carboxylate Traditional Name: 1-benzyl-6-bromo-4-[(4-carbethoxy-4-phenyl-piperidino)methyl]-5-hydroxy-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C34H37BrN2O5 MolecularWeight: 633.57198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCC(CC3)(C4=CC=CC=C4)C(=O)OCC)O)Br)CC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCC(CC3)(C4=CC=CC=C4)C(=O)OCC)O)Br)CC5=CC=CC=C5)C

InChI

InChI=1S/C34H37BrN2O5/c1-4-41-32(39)29-23(3)37(21-24-12-8-6-9-13-24)28-20-27(35)31(38)26(30(28)29)22-36-18-16-34(17-19-36,33(40)42-5-2)25-14-10-7-11-15-25/h6-15,20,38H,4-5,16-19,21-22H2,1-3H3