5,6-dimethoxy-2-[(E)-3-[1-(phenylmethyl)piperidin-4-yl]prop-2-enyl]indene-1,3-dione

Systemtic Name: 5,6-dimethoxy-2-[(E)-3-[1-(phenylmethyl)piperidin-4-yl]prop-2-enyl]indene-1,3-dione Openeye Name: 2-[(E)-3-(1-benzyl-4-piperidyl)allyl]-5,6-dimethoxy-indane-1,3-dione CAS Name: 5,6-dimethoxy-2-[(E)-3-[1-(phenylmethyl)-4-piperidinyl]prop-2-enyl]indene-1,3-dione IUPAC Name: 2-[(E)-3-(1-benzylpiperidin-4-yl)prop-2-enyl]-5,6-dimethoxyindene-1,3-dione Traditional Name: 2-[(E)-3-(1-benzyl-4-piperidyl)allyl]-5,6-dimethoxy-indane-1,3-quinone Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(C2=O)CC=CC3CCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(C2=O)C/C=C/C3CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C26H29NO4/c1-30-23-15-21-22(16-24(23)31-2)26(29)20(25(21)28)10-6-9-18-11-13-27(14-12-18)17-19-7-4-3-5-8-19/h3-9,15-16,18,20H,10-14,17H2,1-2H3/b9-6+