3-[3-(7-methoxy-4-methyl-3-oxidanylidene-quinoxalin-2-yl)-6-phenylmethoxy-indol-1-yl]propylazanium ethanoate

Systemtic Name: 3-[3-(7-methoxy-4-methyl-3-oxidanylidene-quinoxalin-2-yl)-6-phenylmethoxy-indol-1-yl]propylazanium ethanoate Openeye Name: 3-[6-benzyloxy-3-(7-methoxy-4-methyl-3-oxo-quinoxalin-2-yl)indol-1-yl]propylammonium acetate CAS Name: 3-[3-(7-methoxy-4-methyl-3-oxo-2-quinoxalinyl)-6-phenylmethoxy-1-indolyl]propylammonium acetate IUPAC Name: 3-[3-(7-methoxy-4-methyl-3-oxoquinoxalin-2-yl)-6-phenylmethoxyindol-1-yl]propylazanium acetate Traditional Name: 3-[6-benzoxy-3-(3-keto-7-methoxy-4-methyl-quinoxalin-2-yl)indol-1-yl]propylammonium acetate Formula: C30H32N4O5 MolecularWeight: 528.59888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1C2=C(C=C(C=C2)OC)N=C(C1=O)C3=CN(C4=C3C=CC(=C4)OCC5=CC=CC=C5)CCC[NH3+]

Isomeric SMILES

CC(=O)[O-].CN1C2=C(C=C(C=C2)OC)N=C(C1=O)C3=CN(C4=C3C=CC(=C4)OCC5=CC=CC=C5)CCC[NH3+]

InChI

InChI=1S/C28H28N4O3.C2H4O2/c1-31-25-12-10-20(34-2)15-24(25)30-27(28(31)33)23-17-32(14-6-13-29)26-16-21(9-11-22(23)26)35-18-19-7-4-3-5-8-19;1-2(3)4/h3-5,7-12,15-17H,6,13-14,18,29H2,1-2H3;1H3,(H,3,4)