ethyl 6-bromanyl-2-methyl-5-oxidanyl-1-phenyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-methyl-5-oxidanyl-1-phenyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(1-pyrrolidinylmethyl)-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-2-methyl-1-phenyl-4-(pyrrolidinomethyl)indole-3-carboxylic acid ethyl ester Formula: C23H25BrN2O3 MolecularWeight: 457.3602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCC3)O)Br)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCCC3)O)Br)C4=CC=CC=C4)C

InChI

InChI=1S/C23H25BrN2O3/c1-3-29-23(28)20-15(2)26(16-9-5-4-6-10-16)19-13-18(24)22(27)17(21(19)20)14-25-11-7-8-12-25/h4-6,9-10,13,27H,3,7-8,11-12,14H2,1-2H3