6-bromanyl-3-ethoxycarbonyl-5-methoxy-1-phenyl-2-[(propan-2-ylazaniumyl)methyl]indol-4-olate

Systemtic Name: 6-bromanyl-3-ethoxycarbonyl-5-methoxy-1-phenyl-2-[(propan-2-ylazaniumyl)methyl]indol-4-olate Openeye Name: 6-bromo-3-ethoxycarbonyl-2-[(isopropylammonio)methyl]-5-methoxy-1-phenyl-indol-4-olate CAS Name: 6-bromo-3-ethoxycarbonyl-5-methoxy-1-phenyl-2-[(propan-2-ylammonio)methyl]-4-indololate IUPAC Name: 6-bromo-3-ethoxycarbonyl-5-methoxy-1-phenyl-2-[(propan-2-ylazaniumyl)methyl]indol-4-olate Traditional Name: 6-bromo-3-carbethoxy-2-[(isopropylammonio)methyl]-5-methoxy-1-phenyl-indol-4-olate Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)[O-])OC)Br)C3=CC=CC=C3)C[NH2+]C(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)[O-])OC)Br)C3=CC=CC=C3)C[NH2+]C(C)C

InChI

InChI=1S/C22H25BrN2O4/c1-5-29-22(27)19-17(12-24-13(2)3)25(14-9-7-6-8-10-14)16-11-15(23)21(28-4)20(26)18(16)19/h6-11,13,24,26H,5,12H2,1-4H3