1,5-bis[4-methoxy-6-[2-(methylamino)ethyl]-1,3-benzodioxol-5-yl]penta-1,4-dien-3-one

Systemtic Name: 1,5-bis[4-methoxy-6-[2-(methylamino)ethyl]-1,3-benzodioxol-5-yl]penta-1,4-dien-3-one Openeye Name: 1,5-bis[4-methoxy-6-[2-(methylamino)ethyl]-1,3-benzodioxol-5-yl]penta-1,4-dien-3-one CAS Name: 1,5-bis[4-methoxy-6-[2-(methylamino)ethyl]-1,3-benzodioxol-5-yl]-3-penta-1,4-dienone IUPAC Name: 1,5-bis[4-methoxy-6-[2-(methylamino)ethyl]-1,3-benzodioxol-5-yl]penta-1,4-dien-3-one Traditional Name: 1,5-bis[4-methoxy-6-[2-(methylamino)ethyl]-1,3-benzodioxol-5-yl]penta-1,4-dien-3-one Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1=CC2=C(C(=C1C=CC(=O)C=CC3=C(C4=C(C=C3CCNC)OCO4)OC)OC)OCO2

Isomeric SMILES

CNCCC1=CC2=C(C(=C1C=CC(=O)C=CC3=C(C4=C(C=C3CCNC)OCO4)OC)OC)OCO2

InChI

InChI=1S/C27H32N2O7/c1-28-11-9-17-13-22-26(35-15-33-22)24(31-3)20(17)7-5-19(30)6-8-21-18(10-12-29-2)14-23-27(25(21)32-4)36-16-34-23/h5-8,13-14,28-29H,9-12,15-16H2,1-4H3