ethanoic acid; methyl 1-(3-azanylpropyl)-3-(3-oxidanylidene-6-phenyl-4H-quinoxalin-2-yl)indole-5-carboxylate

Systemtic Name: ethanoic acid; methyl 1-(3-azanylpropyl)-3-(3-oxidanylidene-6-phenyl-4H-quinoxalin-2-yl)indole-5-carboxylate Openeye Name: acetic acid; methyl 1-(3-aminopropyl)-3-(3-oxo-6-phenyl-4H-quinoxalin-2-yl)indole-5-carboxylate CAS Name: acetic acid; 1-(3-aminopropyl)-3-(3-oxo-6-phenyl-4H-quinoxalin-2-yl)-5-indolecarboxylic acid methyl ester IUPAC Name: acetic acid; methyl 1-(3-aminopropyl)-3-(3-oxo-6-phenyl-4H-quinoxalin-2-yl)indole-5-carboxylate Traditional Name: acetic acid; 1-(3-aminopropyl)-3-(3-keto-6-phenyl-4H-quinoxalin-2-yl)indole-5-carboxylic acid methyl ester Formula: C29H28N4O5 MolecularWeight: 512.55642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.COC(=O)C1=CC2=C(C=C1)N(C=C2C3=NC4=C(C=C(C=C4)C5=CC=CC=C5)NC3=O)CCCN

Isomeric SMILES

CC(=O)O.COC(=O)C1=CC2=C(C=C1)N(C=C2C3=NC4=C(C=C(C=C4)C5=CC=CC=C5)NC3=O)CCCN

InChI

InChI=1S/C27H24N4O3.C2H4O2/c1-34-27(33)19-9-11-24-20(14-19)21(16-31(24)13-5-12-28)25-26(32)30-23-15-18(8-10-22(23)29-25)17-6-3-2-4-7-17;1-2(3)4/h2-4,6-11,14-16H,5,12-13,28H2,1H3,(H,30,32);1H3,(H,3,4)