2-[1-(2,3-dihydro-1H-inden-2-ylamino)propylidene]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione

Systemtic Name: 2-[1-(2,3-dihydro-1H-inden-2-ylamino)propylidene]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione Openeye Name: 5-(3,4-dimethoxyphenyl)-2-[1-(indan-2-ylamino)propylidene]cyclohexane-1,3-dione CAS Name: 2-[1-(2,3-dihydro-1H-inden-2-ylamino)propylidene]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione IUPAC Name: 2-[1-(2,3-dihydro-1H-inden-2-ylamino)propylidene]-5-(3,4-dimethoxyphenyl)cyclohexane-1,3-dione Traditional Name: 5-(3,4-dimethoxyphenyl)-2-[1-(indan-2-ylamino)propylidene]cyclohexane-1,3-quinone Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC(=C(C=C2)OC)OC)NC3CC4=CC=CC=C4C3

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC(=C(C=C2)OC)OC)NC3CC4=CC=CC=C4C3

InChI

InChI=1S/C26H29NO4/c1-4-21(27-20-11-16-7-5-6-8-17(16)12-20)26-22(28)13-19(14-23(26)29)18-9-10-24(30-2)25(15-18)31-3/h5-10,15,19-20,27H,4,11-14H2,1-3H3