[5-butyl-4-(dimethylamino)-2-(1-methylindol-2-yl)-6-oxidanylidene-pyran-3-yl] ethanoate

Systemtic Name: [5-butyl-4-(dimethylamino)-2-(1-methylindol-2-yl)-6-oxidanylidene-pyran-3-yl] ethanoate Openeye Name: [5-butyl-4-(dimethylamino)-2-(1-methylindol-2-yl)-6-oxo-pyran-3-yl] acetate CAS Name: acetic acid [5-butyl-4-(dimethylamino)-2-(1-methyl-2-indolyl)-6-oxo-3-pyranyl] ester IUPAC Name: [5-butyl-4-(dimethylamino)-2-(1-methylindol-2-yl)-6-oxopyran-3-yl] acetate Traditional Name: acetic acid [5-butyl-4-(dimethylamino)-6-keto-2-(1-methylindol-2-yl)pyran-3-yl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(OC1=O)C2=CC3=CC=CC=C3N2C)OC(=O)C)N(C)C

Isomeric SMILES

CCCCC1=C(C(=C(OC1=O)C2=CC3=CC=CC=C3N2C)OC(=O)C)N(C)C

InChI

InChI=1S/C22H26N2O4/c1-6-7-11-16-19(23(3)4)21(27-14(2)25)20(28-22(16)26)18-13-15-10-8-9-12-17(15)24(18)5/h8-10,12-13H,6-7,11H2,1-5H3