ethyl 6-bromanyl-1-cyclopropyl-5-oxidanyl-2-(1-phenylpropylsulfanylmethyl)-4-(piperidin-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-cyclopropyl-5-oxidanyl-2-(1-phenylpropylsulfanylmethyl)-4-(piperidin-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-2-(1-phenylpropylsulfanylmethyl)-4-(1-piperidylmethyl)indole-3-carboxylate CAS Name: 6-bromo-1-cyclopropyl-5-hydroxy-2-[(1-phenylpropylthio)methyl]-4-(1-piperidinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-cyclopropyl-5-hydroxy-2-(1-phenylpropylsulfanylmethyl)-4-(piperidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-1-cyclopropyl-5-hydroxy-2-[(1-phenylpropylthio)methyl]-4-(piperidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C30H37BrN2O3S MolecularWeight: 585.59538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)SCC2=C(C3=C(C(=C(C=C3N2C4CC4)Br)O)CN5CCCCC5)C(=O)OCC

Isomeric SMILES

CCC(C1=CC=CC=C1)SCC2=C(C3=C(C(=C(C=C3N2C4CC4)Br)O)CN5CCCCC5)C(=O)OCC

InChI

InChI=1S/C30H37BrN2O3S/c1-3-26(20-11-7-5-8-12-20)37-19-25-28(30(35)36-4-2)27-22(18-32-15-9-6-10-16-32)29(34)23(31)17-24(27)33(25)21-13-14-21/h5,7-8,11-12,17,21,26,34H,3-4,6,9-10,13-16,18-19H2,1-2H3