N-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]heptanamide

Systemtic Name: N-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]heptanamide Openeye Name: N-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]heptanamide CAS Name: N-[4-[(E)-7-(4-methoxyphenyl)-1-oxohept-6-enyl]-1-cyclohexa-1,5-dienyl]heptanamide IUPAC Name: N-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]heptanamide Traditional Name: N-[4-[(E)-7-(4-methoxyphenyl)hept-6-enoyl]cyclohexa-1,5-dien-1-yl]enanthamide Formula: C27H37NO3 MolecularWeight: 423.58758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=CCC(C=C1)C(=O)CCCCC=CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCC(=O)NC1=CCC(C=C1)C(=O)CCCC/C=C/C2=CC=C(C=C2)OC

InChI

InChI=1S/C27H37NO3/c1-3-4-5-10-13-27(30)28-24-18-16-23(17-19-24)26(29)12-9-7-6-8-11-22-14-20-25(31-2)21-15-22/h8,11,14-16,18-21,23H,3-7,9-10,12-13,17H2,1-2H3,(H,28,30)/b11-8+