[5-bromanyl-2-[[3-(diethylamino)-2-oxidanyl-propyl]carbamoyl]-1-phenyl-indol-3-yl] 2,2-dimethylpropanoate

Systemtic Name: [5-bromanyl-2-[[3-(diethylamino)-2-oxidanyl-propyl]carbamoyl]-1-phenyl-indol-3-yl] 2,2-dimethylpropanoate Openeye Name: [5-bromo-2-[[3-(diethylamino)-2-hydroxy-propyl]carbamoyl]-1-phenyl-indol-3-yl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-bromo-2-[[[3-(diethylamino)-2-hydroxypropyl]amino]-oxomethyl]-1-phenyl-3-indolyl] ester IUPAC Name: [5-bromo-2-[[3-(diethylamino)-2-hydroxypropyl]carbamoyl]-1-phenylindol-3-yl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-bromo-2-[[3-(diethylamino)-2-hydroxy-propyl]carbamoyl]-1-phenyl-indol-3-yl] ester Formula: C27H34BrN3O4 MolecularWeight: 544.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CNC(=O)C1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)Br)OC(=O)C(C)(C)C)O

Isomeric SMILES

CCN(CC)CC(CNC(=O)C1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)Br)OC(=O)C(C)(C)C)O

InChI

InChI=1S/C27H34BrN3O4/c1-6-30(7-2)17-20(32)16-29-25(33)23-24(35-26(34)27(3,4)5)21-15-18(28)13-14-22(21)31(23)19-11-9-8-10-12-19/h8-15,20,32H,6-7,16-17H2,1-5H3,(H,29,33)