ethyl 5-bromanyl-3-(4-chlorophenyl)carbonyl-1-[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]indole-2-carboxylate

Systemtic Name: ethyl 5-bromanyl-3-(4-chlorophenyl)carbonyl-1-[(2S)-1-ethoxy-1-oxidanylidene-4-phenyl-butan-2-yl]indole-2-carboxylate Openeye Name: ethyl 5-bromo-3-(4-chlorobenzoyl)-1-[(1S)-1-ethoxycarbonyl-3-phenyl-propyl]indole-2-carboxylate CAS Name: 5-bromo-3-[(4-chlorophenyl)-oxomethyl]-1-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]-2-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-3-(4-chlorobenzoyl)-1-[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]indole-2-carboxylate Traditional Name: 5-bromo-1-[(1S)-1-carbethoxy-3-phenyl-propyl]-3-(4-chlorobenzoyl)indole-2-carboxylic acid ethyl ester Formula: C30H27BrClNO5 MolecularWeight: 596.89608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1C(CCC3=CC=CC=C3)C(=O)OCC)C=CC(=C2)Br)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1[C@@H](CCC3=CC=CC=C3)C(=O)OCC)C=CC(=C2)Br)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C30H27BrClNO5/c1-3-37-29(35)25(16-10-19-8-6-5-7-9-19)33-24-17-13-21(31)18-23(24)26(27(33)30(36)38-4-2)28(34)20-11-14-22(32)15-12-20/h5-9,11-15,17-18,25H,3-4,10,16H2,1-2H3/t25-/m0/s1