ethyl 5-[2,4-bis(2-methylpropoxy)phenyl]carbonyl-3-bromanyl-1-(2-methylpropyl)indole-2-carboxylate

Systemtic Name: ethyl 5-[2,4-bis(2-methylpropoxy)phenyl]carbonyl-3-bromanyl-1-(2-methylpropyl)indole-2-carboxylate Openeye Name: ethyl 3-bromo-5-(2,4-diisobutoxybenzoyl)-1-isobutyl-indole-2-carboxylate CAS Name: 5-[[2,4-bis(2-methylpropoxy)phenyl]-oxomethyl]-3-bromo-1-(2-methylpropyl)-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[2,4-bis(2-methylpropoxy)benzoyl]-3-bromo-1-(2-methylpropyl)indole-2-carboxylate Traditional Name: 3-bromo-5-(2,4-diisobutoxybenzoyl)-1-isobutyl-indole-2-carboxylic acid ethyl ester Formula: C30H38BrNO5 MolecularWeight: 572.53042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1CC(C)C)C=CC(=C2)C(=O)C3=C(C=C(C=C3)OCC(C)C)OCC(C)C)Br

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1CC(C)C)C=CC(=C2)C(=O)C3=C(C=C(C=C3)OCC(C)C)OCC(C)C)Br

InChI

InChI=1S/C30H38BrNO5/c1-8-35-30(34)28-27(31)24-13-21(9-12-25(24)32(28)15-18(2)3)29(33)23-11-10-22(36-16-19(4)5)14-26(23)37-17-20(6)7/h9-14,18-20H,8,15-17H2,1-7H3