ethyl 6-bromanyl-1-butyl-2-[(3-methanoylphenoxy)methyl]-5-methoxy-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-butyl-2-[(3-methanoylphenoxy)methyl]-5-methoxy-indole-3-carboxylate Openeye Name: ethyl 6-bromo-1-butyl-2-[(3-formylphenoxy)methyl]-5-methoxy-indole-3-carboxylate CAS Name: 6-bromo-1-butyl-2-[(3-formylphenoxy)methyl]-5-methoxy-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-1-butyl-2-[(3-formylphenoxy)methyl]-5-methoxyindole-3-carboxylate Traditional Name: 6-bromo-1-butyl-2-[(3-formylphenoxy)methyl]-5-methoxy-indole-3-carboxylic acid ethyl ester Formula: C24H26BrNO5 MolecularWeight: 488.37094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC(=C(C=C2C(=C1COC3=CC=CC(=C3)C=O)C(=O)OCC)OC)Br

Isomeric SMILES

CCCCN1C2=CC(=C(C=C2C(=C1COC3=CC=CC(=C3)C=O)C(=O)OCC)OC)Br

InChI

InChI=1S/C24H26BrNO5/c1-4-6-10-26-20-13-19(25)22(29-3)12-18(20)23(24(28)30-5-2)21(26)15-31-17-9-7-8-16(11-17)14-27/h7-9,11-14H,4-6,10,15H2,1-3H3